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Articles 1 - 30 of 42
Full-Text Articles in Physics
Compton Scattering Of Mammographic Soft X-Ray Beams By Alkali And Transition Metal Salt Filters Produce X-Ray Interference Zones That May Have Treatment Potential For Localized Cancer Lesions, Subhendra N. Sarkar, Eric Lobel, Sabina Rakhmatova, Derbie Desir, Somdat Kissoon, Daler Djuraev, Katie Tam
Compton Scattering Of Mammographic Soft X-Ray Beams By Alkali And Transition Metal Salt Filters Produce X-Ray Interference Zones That May Have Treatment Potential For Localized Cancer Lesions, Subhendra N. Sarkar, Eric Lobel, Sabina Rakhmatova, Derbie Desir, Somdat Kissoon, Daler Djuraev, Katie Tam
Publications and Research
In breast x-ray imaging scattered radiation adds 50% of harmful radiation dose from anisotropic Compton scattering mechanism. We have been working with double layered inorganic salt materials that can induce Compton scattering to the incident mammographic x ray beams (in 20-30 kVp range) with adequate isotropy (angular control). Typically metal nitrates and alkali halide salt layers are shown here to cause low energy radiation interference zones with high and low photon intensities and local flux heterogeneity in terms of flux covariance. Spatial variation of low energy photon flux creates concentrated and sparse radiation zones that may be used to induce …
Perspectives On Determinism In Quantum Mechanics: Born, Bohm, And The “Quantal Newtonian” Laws, Viraht Sahni
Perspectives On Determinism In Quantum Mechanics: Born, Bohm, And The “Quantal Newtonian” Laws, Viraht Sahni
Publications and Research
Quantum mechanics has a deterministic Schrödinger equation for the wave function. The Göttingen–Copenhagen statistical interpretation is based on the Born Rule that interprets the wave function as a “probability amplitude.” A precept of this interpretation is the lack of determinism in quantum mechanics. The Bohm interpretation is that the wave function is a source of a field experienced by the electrons, thereby attributing determinism to quantum theory. In this paper, we present a new perspective on such determinism. The ideas are based on the equations of motion or “Quantal Newtonian” Laws obeyed by each electron. These Laws, derived from …
Coupled Spherical-Cavities, Stanislav Kreps, Vladimir Shuvayev, Mark Douvidzon, Baheej Bathish, Tom Lenkiewicz Abudi, Amirreza Ghaznavi, Jie Xu, Yang Lin, Lev Deych, Tal Carmon
Coupled Spherical-Cavities, Stanislav Kreps, Vladimir Shuvayev, Mark Douvidzon, Baheej Bathish, Tom Lenkiewicz Abudi, Amirreza Ghaznavi, Jie Xu, Yang Lin, Lev Deych, Tal Carmon
Publications and Research
In this work, we study theoretically and experimentally optical modes of photonic molecules—clusters of optically coupled spherical resonators. Unlike previous studies, we do not use stems to hold spheres in their positions relying, instead on optical tweezers to maintain desired structures. The modes of the coupled resonators are excited using a tapered fiber and are observed as resonances with a quality factor as high as 107. Using the fluorescent mapping technique, we observe families of coupled modes with similar spatial and spectral shapes repeating every free spectral range (a spectral separation between adjacent resonances of individual spheres). Experimental results are …
Whispering Gallery Modes Of A Triatomic Photonic Molecule, Vladimir Shuvayev, Stanislav Kreps, Tal Carmon, Lev Deych
Whispering Gallery Modes Of A Triatomic Photonic Molecule, Vladimir Shuvayev, Stanislav Kreps, Tal Carmon, Lev Deych
Publications and Research
In this paper, we present the results of numerical simulations of the optical spectra of a three-sphere photonic molecule. The configuration of the system was continuously modified from linear to triangular, in-plane with the fundamental mode excited in one of the spheres and perpendicular to it. We found the relative insensitivity of the spectra to the in-plane deviation from the linear arrangement up to about 110°. For larger angles, the spectra show significant modification consisting of the major spectral peaks splitting and shifting. On the contrary, the spectra are quite sensitive to out-of-plane molecule deviation, even at small angles. Thus, …
The 'Quantal Newtonian' First Law: A Complementary Perspective To The Stationary-State Quantum Theory Of Electrons, Viraht Sahni
The 'Quantal Newtonian' First Law: A Complementary Perspective To The Stationary-State Quantum Theory Of Electrons, Viraht Sahni
Publications and Research
A complementary perspective to the Göttingen-Copenhagen interpretation of stationary-state quantum theory of electrons in an electromagnetic field is described. The perspective, derived from Schrödinger-Pauli theory, is that of the individual electron via its equation of motion or ‘Quantal Newtonian’ First Law. The Law is in terms of ‘classical’ fields experienced by each electron: the sum of the external and internal fields vanishes. The external field is a sum of the electrostatic and Lorentz fields. The internal field is a sum of fields’ representative of Pauli and Coulomb correlations; kinetic effects; electron density; and internal magnetic component. The energy is obtained …
Dissociative Excitation, Ionization, And Fragmentation Processes For Nitrogen, Oxygen, Methane, And Water Molecules By Electron Bombardment, M. Gochitashvili, R. Lomsazde, D. Kuparashvili, O. Taboridze, Roman Ya. Kezerashvili
Dissociative Excitation, Ionization, And Fragmentation Processes For Nitrogen, Oxygen, Methane, And Water Molecules By Electron Bombardment, M. Gochitashvili, R. Lomsazde, D. Kuparashvili, O. Taboridze, Roman Ya. Kezerashvili
Publications and Research
Electron–impact ionization and fragmentation of molecules are investigated by the chromatography mass-spectrometry device. While the excitation processes are investigated by an optical spectroscopy method. The spectral analysis is performed in the vacuum ultraviolet 50-130 nm spectral regions. The absolute value of the fragmentation cross-section in the dissociative ionization and excitation processes is determined. Measurements are performed in the electron energy range 25-120eV for ionization and 200-500eV for excitation processes respectively.
Giant Acoustically-Induced Synthetic Hall Voltages In Graphene, Pai Zhao, Chithra H. Sharma, Renrong Liang, Christian Glasenapp, Lev Mourokh, Vadim M. Kovalev, Patrick Huber, Marta Prada, Lars Tiemann, Robert H. Blick
Giant Acoustically-Induced Synthetic Hall Voltages In Graphene, Pai Zhao, Chithra H. Sharma, Renrong Liang, Christian Glasenapp, Lev Mourokh, Vadim M. Kovalev, Patrick Huber, Marta Prada, Lars Tiemann, Robert H. Blick
Publications and Research
Any departure from graphene’s flatness leads to the emergence of artificial gauge fields that act on the motion of the Dirac fermions through an associated pseudomagnetic field. Here, we demonstrate the tunability of strong gauge fields in nonlocal experiments using a large planar graphene sheet that conforms to the deformation of a piezoelectric layer by a surface acoustic wave. The acoustic wave induces a longitudinal and a giant synthetic Hall voltage in the absence of external magnetic fields. The superposition of a synthetic Hall potential and a conventional Hall voltage can annihilate the sample’s transverse potential at large external magnetic …
Perspectives On Determinism In Quantum Mechanics: Born, Bohm, And The 'Quantal Newtonian' Laws, Viraht Sahni
Perspectives On Determinism In Quantum Mechanics: Born, Bohm, And The 'Quantal Newtonian' Laws, Viraht Sahni
Publications and Research
Quantum mechanics has a deterministic Schrödinger equation for the wave function. The Göttingen-Copenhagen statistical interpretation is based on the Born Rule that interprets the wave function as a ‘probability amplitude’. A precept of this interpretation is the lack of determinism in quantum mechanics. The Bohm interpretation is that the wave function is a source of a field experienced by the electrons, thereby attributing determinism to quantum theory. In this paper we present a new perspective on such determinism. The ideas are based on the equations of motion or ‘Quantal Newtonian’ Laws obeyed by each electron. These Laws, derived from the …
Wave Function Identity: A New Symmetry For 2-Electron Systems In An Electromagnetic Field, Marlina Slamet, Viraht Sahni
Wave Function Identity: A New Symmetry For 2-Electron Systems In An Electromagnetic Field, Marlina Slamet, Viraht Sahni
Publications and Research
Stationary-state Schrödinger-Pauli theory is a description of electrons with a spin moment in an external electromagnetic field. For 2-electron systems as described by the Schrödinger-Pauli theory Hamiltonian with a symmetrical binding potential, we report a new symmetry operation of the electronic coordinates. The symmetry operation is such that it leads to the equality of the transformed wave function to the wave function. This equality is referred to as the Wave Function Identity. The symmetry operation is a two-step process: an interchange of the spatial coordinates of the electrons whilst keeping their spin moments unchanged, followed by an inversion. The Identity …
Evaluation Of Log P, Pka, And Log D Predictions From The Sampl7 Blind Challenge, Teresa Danielle Bergazin, Nicolas Tielker, Yingying Zhang, Junjun Mao, M. R. Gunner, Karol Francisco, Carlo Ballatore, Stefan M. Kast, David L. Mobley
Evaluation Of Log P, Pka, And Log D Predictions From The Sampl7 Blind Challenge, Teresa Danielle Bergazin, Nicolas Tielker, Yingying Zhang, Junjun Mao, M. R. Gunner, Karol Francisco, Carlo Ballatore, Stefan M. Kast, David L. Mobley
Publications and Research
The Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) challenges focuses the computational modeling community on areas in need of improvement for rational drug design. The SAMPL7 physical property challenge dealt with prediction of octanol-water partition coefficients and pKa for 22 compounds. The dataset was composed of a series of N-acylsulfonamides and related bioisosteres. 17 research groups participated in the log P challenge, submitting 33 blind submissions total. For the pKa challenge, 7 different groups participated, submitting 9 blind submissions in total. Overall, the accuracy of octanol-water log P predictions in the SAMPL7 challenge was …
Protein Motifs For Proton Transfers That Build The Transmembrane Proton Gradient, Divya Kaur, Umesh Khaniya, Yingying Zhang, M. R. Gunner
Protein Motifs For Proton Transfers That Build The Transmembrane Proton Gradient, Divya Kaur, Umesh Khaniya, Yingying Zhang, M. R. Gunner
Publications and Research
Biological membranes are barriers to polar molecules, so membrane embedded proteins control the transfers between cellular compartments. Protein controlled transport moves substrates and activates cellular signaling cascades. In addition, the electrochemical gradient across mitochondrial, bacterial and chloroplast membranes, is a key source of stored cellular energy. This is generated by electron, proton and ion transfers through proteins. The gradient is used to fuel ATP synthesis and to drive active transport. Here the mechanisms by which protons move into the buried active sites of Photosystem II (PSII), bacterial RCs (bRCs) and through the proton pumps, Bacteriorhodopsin (bR), Complex I and Cytochrome …
Enhanced Nonlinear Interaction Of Polaritons Via Excitonic Rydberg States In Monolayer Wse2, Jie Gu, Valentin Walther, Lutz Waldecker, Daniel Rhodes, Archana Raja, James C. Hone, Tony F. Heinz, Stéphane Kéna-Cohen, Thomas Pohl, Vinod M. Menon
Enhanced Nonlinear Interaction Of Polaritons Via Excitonic Rydberg States In Monolayer Wse2, Jie Gu, Valentin Walther, Lutz Waldecker, Daniel Rhodes, Archana Raja, James C. Hone, Tony F. Heinz, Stéphane Kéna-Cohen, Thomas Pohl, Vinod M. Menon
Publications and Research
Strong optical nonlinearities play a central role in realizing quantum photonic technologies. Exciton-polaritons, which result from the hybridization of material excitations and cavity photons, are an attractive candidate to realize such nonlinearities. While the interaction between ground state excitons generates a notable optical nonlinearity, the strength of such interactions is generally not sufficient to reach the regime of quantum nonlinear optics. Excited states, however, feature enhanced interactions and therefore hold promise for accessing the quantum domain of single-photon nonlinearities. Here we demonstrate the formation of exciton-polaritons using excited excitonic states in monolayer tungsten diselenide (WSe2) embedded in a …
Triplet 23S State Of A Quantum Dot In A Magnetic Field: A 'Quantal Newtonian' First Law Study, Marlina Slamet, Viraht Sahni
Triplet 23S State Of A Quantum Dot In A Magnetic Field: A 'Quantal Newtonian' First Law Study, Marlina Slamet, Viraht Sahni
Publications and Research
The triplet 23S state of a 2-electron 2-dimensional quantum dot in a magnetic field is studied via a complementary perspective of Schrödinger-Pauli theory. The perspective is that of the individual electron via its equation of motion or ‘Quantal Newtonian’ first law. According to the law, each electron experiences an external and internal field, the sum of which vanishes. The external field is the sum of the binding and Lorentz fields. The internal field is a sum of the electron-interaction, kinetic, differential density, and internal magnetic fields. The energy is expressed in integral virial form in terms of these …
Transmission Zeros With Topological Symmetry In Complex Systems, Yuhao Kang, Azriel Genack
Transmission Zeros With Topological Symmetry In Complex Systems, Yuhao Kang, Azriel Genack
Publications and Research
Understanding vanishing transmission in Fano resonances in quantum systems and metamaterials and perfect and ultralow transmission in disordered media, has advanced the understanding and applications of wave interactions. Here we use analytic theory and numerical simulations to understand and control the transmission and transmission time in complex systems by deforming a medium and by adjusting the level of gain or loss. Unlike the zeros of the scattering matrix, the position and motion of the zeros of the determinant of the transmission matrix in the complex plane of frequency and field decay rate have robust topological properties. In systems without loss …
Driven Dipolariton Transistors In Y-Shaped Channels, Patrick Serafin, Tim Byrnes, German Kolmakov V
Driven Dipolariton Transistors In Y-Shaped Channels, Patrick Serafin, Tim Byrnes, German Kolmakov V
Publications and Research
Exciton-dipolaritons are investigated as a platform for realizing working elements of a polaritronic transistor. Exciton-dipolaritons are three-way superposition of cavity photons, direct and indirect excitons in a bilayer semiconducting system embedded in an optical microcavity. Using the forced diffusion equation for dipolaritons, we study the room-temperature dynamics of dipolaritons in a transition-metal dichalcogenide (TMD) heterogeneous bilayer. Specifically, we considered a MoSe2-WS2 heterostructure, where a Y-shaped channel guiding the dipolariton propagation is produced. We demonstrate that polaritronic signals can be redistributed in the channels by applying a driving voltage in an optimal direction. Our findings open a route …
Schrödinger-Pauli Theory Of Electrons: New Perspectives, Viraht Sahni
Schrödinger-Pauli Theory Of Electrons: New Perspectives, Viraht Sahni
Publications and Research
The Schrödinger-Pauli (SP) theory of electrons in an electromagnetic field explicitly accounts for the electron spin moment. The many-electron theory is complemented via a new descriptive perspective viz. that of the individual electron via its equation of motion or ‘Quantal Newtonian’ first law. The law is in terms of ‘classical’ fields whose sources are quantum mechanical expectation values of Hermitian operators taken with respect to the system wave function. The law states that each electron experiences an external and an internal field, the sum of which vanish. The external field is the sum of the binding electrostatic and a Lorentz …
Optically Pumped Spin Polarization As A Probe Of Many-Body Thermalization, Daniela Pagliero, Pablo R. Zangara, Jacob Henshaw, Ashok Ajoy, Rodolfo H. Acosta, Jeffrey A. Reimer, Alexander Pines, Carlos A. Meriles
Optically Pumped Spin Polarization As A Probe Of Many-Body Thermalization, Daniela Pagliero, Pablo R. Zangara, Jacob Henshaw, Ashok Ajoy, Rodolfo H. Acosta, Jeffrey A. Reimer, Alexander Pines, Carlos A. Meriles
Publications and Research
Disorder and many body interactions are known to impact transport and thermalization in competing ways, with the dominance of one or the other giving rise to fundamentally different dynamical phases. Here we investigate the spin diffusion dynamics of 13C in diamond, which we dynamically polarize at room temperature via optical spin pumping of engineered color centers. We focus on low-abundance, strongly hyperfine-coupled nuclei, whose role in the polarization transport we expose through the integrated impact of variable radio-frequency excitation on the observable bulk 13C magnetic resonance signal. Unexpectedly, we find good thermal contact throughout the nuclear spin bath, …
New Perspectives On The Schrödinger-Pauli Theory Of Electrons: Part Ii: Application To The Triplet State Of A Quantum Dot In A Magnetic Field, Marlina Slamet, Viraht Sahni
New Perspectives On The Schrödinger-Pauli Theory Of Electrons: Part Ii: Application To The Triplet State Of A Quantum Dot In A Magnetic Field, Marlina Slamet, Viraht Sahni
Publications and Research
The Schrödinger-Pauli (SP) theory of electrons in the presence of a static electromagnetic field can be described from the perspective of the individual electron via its equation of motion or 'Quantal Newtonian' first law. The law is in terms of 'classical' fields whose sources are quantum-mechanical expectation values of Hermitian operators taken with respect to the wave function. The law states that the sum of the external and internal fields experienced by each electron vanishes. The external field is the sum of the binding electrostatic and Lorentz fields. The internal field is the sum of fields representative of properties of …
New Perspectives On The Schrödinger-Pauli Theory Of Electrons: Part I, Viraht Sahni
New Perspectives On The Schrödinger-Pauli Theory Of Electrons: Part I, Viraht Sahni
Publications and Research
Schrödinger-Pauli (SP) theory is a description of electrons in the presence of a static electromagnetic field in which the interaction of the magnetic field with both the orbital and spin moments is explicitly considered. The theory is described from the new perspective of the individual electron via its equation of motion or ‘Quantal Newtonian’ first law. The law is in terms of ‘classical’ fields whose sources are quantum mechanical expectation values of Hermitian operators taken with respect to the system wave function. The law states that each electron experiences an external and an internal field, the sum of which vanish. …
Impact Of Fiber Parameters On Edfa And/Or Raman Amplified High-Spectral-Efficiency Coherent Wdm Transmissions, Lufeng Leng
Impact Of Fiber Parameters On Edfa And/Or Raman Amplified High-Spectral-Efficiency Coherent Wdm Transmissions, Lufeng Leng
Publications and Research
The impact of fiber properties is investigated for coherent systems employing polarization-division multiplexed high-level quadrature amplitude modulation, wavelength-division multiplexing, and erbium-doped fiber amplifier and/or distributed Raman amplification. This is done by comparing the performances of fiber links of various attenuation coefficients and effective areas via experimentally verified analytical methods. Results show that the excess noise, which originates at amplifiers compensating for the losses of filters and switches located between fiber spans, can weaken or even diminish the performance enhancement brought about by lowering the fiber attenuation coefficient, especially if distributed Raman amplification is employed. This leads to the difference in …
Study Of The Kinetic Energy Densities Of Electrons As Applied To Quantum Dots In A Magnetic Field, Marlina Slamet, Viraht Sahni
Study Of The Kinetic Energy Densities Of Electrons As Applied To Quantum Dots In A Magnetic Field, Marlina Slamet, Viraht Sahni
Publications and Research
There are three expressions for the kinetic energy density t(r) expressed in terms of its quantal source, the single‐particle density matrix: tA(r), the integrand of the kinetic energy expectation value; tB(r), the trace of the kinetic energy tensor; tC(r), a virial form in terms of the 'classical' kinetic field. These kinetic energy densities are studied by application to 'artificial atoms' or quantum dots in a magnetic field in a ground and excited singlet state. A comparison with the densities for natural atoms and molecules in their ground state is made. The near nucleus …
Kinetic Effects In 2d And 3d Quantum Dots: Comparison Between High And Low Electron Correlation Regimes, Marlina Slamet, Viraht Sahni
Kinetic Effects In 2d And 3d Quantum Dots: Comparison Between High And Low Electron Correlation Regimes, Marlina Slamet, Viraht Sahni
Publications and Research
Kinetic related ground state properties of a two-electron 2D quantum dot in a magnetic field and a 3D quantum dot (Hooke's atom) are compared in the Wigner high (HEC) and low (LEC) electron correlation regimes. The HEC regime corresponds to low densities sufficient for the creation of a Wigner molecule. The LEC regime densities are similar to those of natural atoms and molecules. The results are determined employing exact closed-form analytical solutions of the Schrödinger-Pauli and Schrödinger equations, respectively. The properties studied are the local and nonlocal quantal sources of the density and the single particle density matrix; the kinetic …
Dissipation Effects In Schrödinger And Quantal Density Functional Theories Of Electrons In An Electromagnetic Field, Xiao-Yin Pan, Viraht Sahni
Dissipation Effects In Schrödinger And Quantal Density Functional Theories Of Electrons In An Electromagnetic Field, Xiao-Yin Pan, Viraht Sahni
Publications and Research
Dissipative effects arise in an electronic system when it interacts with a time-dependent environment. Here, the Schrödinger theory of electrons in an electromagnetic field including dissipative effects is described from a new perspective. Dissipation is accounted for via the effective Hamiltonian approach in which the electron mass is time-dependent. The perspective is that of the individual electron: the corresponding equation of motion for the electron or time-dependent differential virial theorem—the ‘Quantal Newtonian’ second law—is derived. According to the law, each electron experiences an external field comprised of a binding electric field, the Lorentz field, and the electromagnetic field. In addition, …
Master Integrals For Double Real Radiation Emission In Heavy-To-Light Quark Decay, Roberto Bonciani, Alessandro Broggio, Leandro Cieri, Andrea Ferroglia
Master Integrals For Double Real Radiation Emission In Heavy-To-Light Quark Decay, Roberto Bonciani, Alessandro Broggio, Leandro Cieri, Andrea Ferroglia
Publications and Research
We evaluate analytically the master integrals for double real radiation emission in the b → uW* decay, where b and u are a massive and massless quark, respectively, while W* is an off-shell charged weak boson. Since the W boson can subsequently decay in a lepton anti-neutrino pair, the results of the present paper constitute a further step toward a fully analytic computation of differential distributions for the semileptonic decay of a b quark at NNLO in QCD. The latter partonic process plays a crucial role in the study of inclusive semileptonic charmless decays of B mesons. Our …
Electron Correlations In An Excited State Of A Quantum Dot In A Uniform Magnetic Field, Marlina Slamet, Viraht Sahni
Electron Correlations In An Excited State Of A Quantum Dot In A Uniform Magnetic Field, Marlina Slamet, Viraht Sahni
Publications and Research
Electron correlations in a two-electron two-dimensional ‘artificial atom’ or quantum dot (with harmonic confining potential) in the presence of a uniform magnetic field in an excited singlet state are studied via quantal density functional theory (QDFT). QDFT allows for the separation of the electron correlations due to the Pauli exclusion principle and Coulomb repulsion, as well as the determination of the contribution of these correlations to the kinetic energy. The QDFT mapping is from the excited state of the quantum dot to one of noninteracting fermions in their ground state possessing the same basic variables of the density and physical …
Generalization Of The Schrödinger Theory Of Electrons, Viraht Sahni
Generalization Of The Schrödinger Theory Of Electrons, Viraht Sahni
Publications and Research
The Schrödinger theory for a system of electrons in the presence of both a static and time-dependent electromagnetic field is generalized so as to exhibit the intrinsic self-consistent nature of the corresponding Schrödinger equations. This is accomplished by proving that the Hamiltonian in the stationary-state and time-dependent cases {\hat{H}; \hat{H}(t)} are exactly known functionals of the corresponding wave functions {\Psi; \Psi(t)}, i.e. \hat{H} = \hat{H}[\Psi] and \hat{H}(t) = \hat{H}[\Psi(t)]. Thus, the Schrödinger equations may be written as \hat{H}[\Psi]\Psi = E[\Psi]\Psi and \hat{H}[\Psi(t)]\Psi(t) = i\partial\Psi(t)/\partial t. As a consequence the eiegenfunctions and energy eigenvalues {\Psi; E} of the stationary-state equation, and …
Schrödinger Theory Of Electrons In Electromagnetic Fields: New Perspectives, Viraht Sahni, Xiao-Yin Pan
Schrödinger Theory Of Electrons In Electromagnetic Fields: New Perspectives, Viraht Sahni, Xiao-Yin Pan
Publications and Research
The Schrödinger theory of electrons in an external electromagnetic field is described from the new perspective of the individual electron. The perspective is arrived at via the time-dependent "Quantal Newtonian" law (or differential virial theorem). (The time-independent law, a special case, provides a similar description of stationary-state theory). These laws are in terms of "classical" fields whose sources are quantal expectations of Hermitian operators taken with respect to the wave function. The laws reveal the following physics: (a) in addition to the external field, each electron experiences an internal field whose components are representative of a specific property of the …
Properties Of The Schrödinger Theory Of Electrons In Electromagnetic Fields, Viraht Sahni, Xiao-Yin Pan
Properties Of The Schrödinger Theory Of Electrons In Electromagnetic Fields, Viraht Sahni, Xiao-Yin Pan
Publications and Research
The Schrödinger theory of electrons in an external electromagnetic field can be described from the perspective of the individual electron via the ‘Quantal Newtonian’ laws (or differential virial theorems). These laws are in terms of ‘classical’ fields whose sources are quantal expectations of Hermitian operators taken with respect to the wave function. The laws reveal the following physics: (a) In addition to the external field, each electron experiences an internal field whose components are representative of a specific property of the system such as the correlations due to the Pauli exclusion principle and Coulomb repulsion, the electron density, kinetic effects, …
Electron Correlations In Local Effective Potential Theory, Viraht Sahni, Xiao-Yin Pan, Tao Yang
Electron Correlations In Local Effective Potential Theory, Viraht Sahni, Xiao-Yin Pan, Tao Yang
Publications and Research
Local effective potential theory, both stationary-state and time-dependent, constitutes the mapping from a system of electrons in an external field to one of the noninteracting fermions possessing the same basic variable such as the density, thereby enabling the determination of the energy and other properties of the electronic system. This paper is a description via Quantal Density Functional Theory (QDFT) of the electron correlations that must be accounted for in such a mapping. It is proved through QDFT that independent of the form of external field, (a) it is possible to map to a model system possessing all the basic …
Hohenberg-Kohn Theorems In Electrostatic And Uniform Magnetostatic Fields, Xiao-Yin Pan, Viraht Sahni
Hohenberg-Kohn Theorems In Electrostatic And Uniform Magnetostatic Fields, Xiao-Yin Pan, Viraht Sahni
Publications and Research
The Hohenberg-Kohn (HK) theorems of bijectivity between the external scalar potential and the gauge invariant nondegenerate ground state density, and the consequent Euler variational principle for the density, are proved for arbitrary electrostatic field and the constraint of fixed electron number. The HK theorems are generalized for spinless electrons to the added presence of an external uniform magnetostatic field by introducing the new constraint of fixed canonical orbital angular momentum. Thereby, a bijective relationship between the external scalar and vector potentials, and the gauge invariant nondegenerate ground state density and physical current density, is proved. A corresponding Euler variational principle …