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Articles 31 - 36 of 36
Full-Text Articles in Condensed Matter Physics
Wave Function For Time-Dependent Harmonically Confined Electrons In A Time-Dependent Electric Field, Yu-Qi Li, Xiao-Yin Pan, Viraht Sahni
Wave Function For Time-Dependent Harmonically Confined Electrons In A Time-Dependent Electric Field, Yu-Qi Li, Xiao-Yin Pan, Viraht Sahni
Publications and Research
The many-body wave function of a system of interacting particles confined by a time-dependent harmonic potential and perturbed by a time-dependent spatially homogeneous electric field is derived via the Feynman path-integral method. The wave function is comprised of a phase factor times the solution to the unperturbed time-dependent Schrödinger equation with the latter being translated by a time-dependent value that satisfies the classical driven equation of motion. The wave function reduces to that of the Harmonic Potential Theorem wave function for the case of the time-independent harmonic confining potential.
Comment On "Density And Physical Current Density Functional Theory", Xiao-Yin Pan, Viraht Sahni
Comment On "Density And Physical Current Density Functional Theory", Xiao-Yin Pan, Viraht Sahni
Publications and Research
In this letter to the editor, the authors comment on an earlier article they had published, "Density and Physical Current Density Functional Theory" (Pan, X.-Y. and Sahni, V. (2010), Density and physical current density functional theory. Int. J. Quantum Chem., 110: 2833–2843. doi: 10.1002/qua.22862).
Hohenberg-Kohn Theorem Including Electron Spin, Xiao-Yin Pan, Viraht Sahni
Hohenberg-Kohn Theorem Including Electron Spin, Xiao-Yin Pan, Viraht Sahni
Publications and Research
The Hohenberg-Kohn theorem is generalized to the case of a finite system of N electrons in external electrostatic epsilon(r) = -del nu(r) and magnetostatic B(r) = del x A(r) fields in which the interaction of the latter with both the orbital and spin angular momentum is considered. For a nondegenerate ground state a bijective relationship is proved between the gauge invariant density rho(r) and physical current density j(r) and the potentials {nu(r), A(r)}. The possible many-to-one relationship between the potentials {v(r), A(r)} and the wave function is explicitly accounted for in the proof. With the knowledge that the basic variables …
Hohenberg-Kohn And Percus-Levy-Lieb Proofs Of Density-Functional Theory, Viraht Sahni, Xiao-Yin Pan
Hohenberg-Kohn And Percus-Levy-Lieb Proofs Of Density-Functional Theory, Viraht Sahni, Xiao-Yin Pan
Publications and Research
The premise of density-functional theory is that knowledge of the ground-state density uniquely determines the Hamiltonian, and thereby, via solution of the corresponding time-independent Schrodinger equation, all the properties of the system. The density therefore constitutes a basic variable of quantum mechanics. There are at present two paths from the density to the Hamiltonian: the Hohenberg and Kohn proof of the bijectivity between the external potential and the basic variable, and the Percus, Levy, and Lieb constrained-search proof. We argue the Hohenberg- and Kohn-type proof to be the more fundamental, and that this is the case in general when both …
Demonstration Of The Gunnarsson-Lundqvist Theorem And The Multiplicity Of Potentials For Excited States, Yu-Qi Li, Xiao-Yin Pan, Biao Li, Viraht Sahni
Demonstration Of The Gunnarsson-Lundqvist Theorem And The Multiplicity Of Potentials For Excited States, Yu-Qi Li, Xiao-Yin Pan, Biao Li, Viraht Sahni
Publications and Research
The Gunnarsson-Lundqvist (GL) theorem of density functional theory states that there is a one-to-one relationship between the density of the lowest nondegenerate excited state of a given symmetry and the external potential. As a consequence, knowledge of this excited state density determines the external potential uniquely. [The GL theorem is the equivalent for such excited states of theHohenberg-Kohn (HK) theorem for nondegenerate ground states.] For other excited states, there is no equivalent of the GL or HK theorem. For these states, there thus exist multiple potentials that generate the excited-state density. We show, by example, the satisfaction that the GL …
Wave-Function Functionals For The Density, Marlina Slamet, Xiao-Yin Pan, Viraht Sahni
Wave-Function Functionals For The Density, Marlina Slamet, Xiao-Yin Pan, Viraht Sahni
Publications and Research
We extend the idea of the constrained-search variational method for the construction of wave-function functionals psi[chi] of functions chi. The search is constrained to those functions chi such that psi[chi] reproduces the density rho(r) while simultaneously leading to an upper bound to the energy. The functionals are thereby normalized and automatically satisfy the electron-nucleus coalescence condition. The functionals psi[chi] are also constructed to satisfy the electron-electron coalescence condition. The method is applied to the ground state of the helium atom to construct functionals psi[chi] that reproduce the density as given by the Kinoshita correlated wave function. The expectation of single-particle …