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Articles 1 - 23 of 23
Full-Text Articles in Physical Sciences and Mathematics
Hierarchical Subject Inter-Relations In Physical Chemistry, Carl W. David
Hierarchical Subject Inter-Relations In Physical Chemistry, Carl W. David
Chemistry Education Materials
Students mystified by the progression of topics in Physical Chemistry may gain insight into their path through the material if acquainted with the diagrams presented and discussed herein.
Constructed Response Answers In A Multiple-Choice Universe, Carl W. David
Constructed Response Answers In A Multiple-Choice Universe, Carl W. David
Chemistry Education Materials
A scheme is introduced which allows computer readable multiple choice forms used in traditional examinations to be employed for constructed response items.
Guessing Harmonic Oscillator Wavefunctions Using Maple, Carl W. David
Guessing Harmonic Oscillator Wavefunctions Using Maple, Carl W. David
Chemistry Education Materials
The guessing of eigenfunctions is not trivial at higher quantum numbers, no matter what the system being considered. Instead of guessing, one can employ a symbolic calculus progam (Maple in this case) to aid in the reasoning process.
The Driven Harmonic Oscillator In Chemistry, Carl W. David
The Driven Harmonic Oscillator In Chemistry, Carl W. David
Chemistry Education Materials
The molecular dynamical simulation of the normal vibrational mode of water which involves H-O-H angle deformation, when driven by an external force, can be used to see how a driven harmonic oscillator, classically, is associated with the infra-red spectrum of water (and the absorption for this particular normal mode).
Using The Morse Potential To Understand Reaction Coördinates Using Maple, Carl W. David
Using The Morse Potential To Understand Reaction Coördinates Using Maple, Carl W. David
Chemistry Education Materials
The interactions employed in the “linear” reaction A(g)+BC(g) -> AB(g) + C(g) in a “one dimensional world” can be used to illustrate the “reaction coördinate”, using Maple, in a manner which allows students to inspect potential energy surfaces, make contour maps of those surfaces, and conceptually construct the “reaction coördinate” by tracing the local minimum path on the surface created.“one dimensional world” can be used to illustrate the “reaction coördinate”, using Maple, in a manner which allows students to inspect potential energy surfaces, make contour maps of those surfaces, and conceptually construct the “reaction coördinate” by tracing the local minimum …
Frobenius Solution For Legendre's Equation, Rodrigue's Formula And Normalization, Carl W. David
Frobenius Solution For Legendre's Equation, Rodrigue's Formula And Normalization, Carl W. David
Chemistry Education Materials
The Frobenius solution to Legendre/s equation is developed in detail as is Rodrigue's formula, which is employed to normalize Legendre polynomials.
1s_A 1s_B Overlap Integrals, Analytic And Maple Approches, Carl W. David
1s_A 1s_B Overlap Integrals, Analytic And Maple Approches, Carl W. David
Chemistry Education Materials
The calculation of overlap between adjacent orbitals (not on the same center) requires a slight facility with calculus which is quite instructive. That calculation is presented here.
Rationale For Studying Physical Chemistry, Carl W. David
Rationale For Studying Physical Chemistry, Carl W. David
Chemistry Education Materials
The various rationales for studying physical chemistry, and specifically the theoretical component thereof are presented in what is hoped in a coherent package.
The Harmonic Oscillator's Frobenius Solution, Carl W. David
The Harmonic Oscillator's Frobenius Solution, Carl W. David
Chemistry Education Materials
The Frobenius solution to the differential equations associated with the harmonic oscillator (QM) is carried out in detail.
The Hartree-Fock Method Applied To Helium's Electrons, Carl W. David
The Hartree-Fock Method Applied To Helium's Electrons, Carl W. David
Chemistry Education Materials
The difficulties of applying the Hartree-Fock method to many body problems is illustrated by treating Helium's electrons up to the point where tractability vanishes. Second, the problem of applying Hartree-Fock methods to the helium atom's electrons, when they are constrained to remain on a sphere, is revisited. The 6-dimensional total energy operator is reduced to a 2-dimensional one, and the application of that 2-dimensional operator in the Hartree-Fock mode is discussed.
Multiple-Choice Testing In Science And Technology Courses, Carl W. David
Multiple-Choice Testing In Science And Technology Courses, Carl W. David
Chemistry Education Materials
Wide spread and continuing use of multiple-choice testing in technical subjects is leading to a mindset amongst students which is antithetical with actual use of intellect.
L'Hopital's Rule In Chemistry: Irreversible Morphing Into Reversible Isothermal Expansions, Carl W. David
L'Hopital's Rule In Chemistry: Irreversible Morphing Into Reversible Isothermal Expansions, Carl W. David
Chemistry Education Materials
L'Hopital's Rule is discussed in the cvase of an irreversible isothermal expansion.
Mo Visualization Of Pi Orbitals, Carl W. David
Mo Visualization Of Pi Orbitals, Carl W. David
Chemistry Education Materials
In the spirit of trying to convert people to understanding atomic orbitals centered elsewhere than the origin, we continue the discussion of visualizing molecular orbitals, so called LCAO-MO, using various plotting tricks in Maple.
A Review Of Helium Hamiltonians, Carl W. David
A Review Of Helium Hamiltonians, Carl W. David
Chemistry Education Materials
Helium Hamiltonian transformations are discussed in extreme detail.
Lee O Case's "Elements Of The Phase Rule", Introduction And Explanation, Carl W. David
Lee O Case's "Elements Of The Phase Rule", Introduction And Explanation, Carl W. David
Chemistry Education Materials
This out of print 1939 manuscript, updated, is added to the literature with slight additions
The Runge0lenz Vector (Continued), Carl W. David
The Runge0lenz Vector (Continued), Carl W. David
Chemistry Education Materials
We continue our discussion of the Runge-Lenz vector in a quantum mechanical context. The traditional form of the Runge-Lenz vector is obtained, and the commutation relations between the Runge-Lenz vector, the Hamiltonian, and the Angular Momentum are obtained using Maple.
Lee O Case's "Elements Of The Phase Rule", Chapter 2, Carl W. David
Lee O Case's "Elements Of The Phase Rule", Chapter 2, Carl W. David
Chemistry Education Materials
The second chapter of the Case text on the phase rule, this time dealing with two component systems, added to by the author, is presented here.
Carnot Cycles: Traditional And Stefan Boltzmann, And The First Planck Argument, Carl W. David
Carnot Cycles: Traditional And Stefan Boltzmann, And The First Planck Argument, Carl W. David
Chemistry Education Materials
The Stefan Boltzmann equation is obtained using a non-traditional Carnot Engine. In addition, the original Planck argument for radiation density is given.
Triatomic Molecular Orbitals, Carl W. David
Triatomic Molecular Orbitals, Carl W. David
Chemistry Education Materials
If elementary Quantum Chemistry stops at diatomic molecules, some students may be left with false impressions concerning how one builds polyatomic molecule's LCAO-MOs. This reading discusses building such molecular orbitals from atomic orbitals centered at different spatial coordinates.
Continued Fraction Solutions To Hermite's, Legendre's And Laguerre's Differential Equation, Carl W. David
Continued Fraction Solutions To Hermite's, Legendre's And Laguerre's Differential Equation, Carl W. David
Chemistry Education Materials
The continued fraction method for solving differential equations is illustrated using three famous differential equations used in quantum chemistry.
More Than You Ever Cared To Know About Solution Thermodynamics, Carl W. David
More Than You Ever Cared To Know About Solution Thermodynamics, Carl W. David
Chemistry Education Materials
These readings are a compendium of earlier works put together and corrected for errors. The subject is solution thermodynamics, based on the one dimensional binary solution as "extended" to three dimensions.
Lee O. Case's "Elements Of The Phase Rule", Chapter 1, One Component Systems, Carl W. David
Lee O. Case's "Elements Of The Phase Rule", Chapter 1, One Component Systems, Carl W. David
Chemistry Education Materials
One component systems are treated from the point of view of the Gibbs' phase rule.
Lee O Case's "Elements Of The Phase Rule", Chapter 3, Carl W. David
Lee O Case's "Elements Of The Phase Rule", Chapter 3, Carl W. David
Chemistry Education Materials
This is the last (third) chapter of the phase rule text, again altered by the author, addressing 3 and 4 compnent systems.