A forecast for theoretical chemistry

Application of quantum mechanics in theoretical chemistr

Applicability of perturbation theory to molecular problems

Perturbation theory used in quantum mechanics to determine molecular energy and propertie

Coordinates which diagonalize the kinetic energy of relative motion

General coordinate sets for diagonalizing relative kinetic energy of N particle syste

The energy of interaction between two hydrogen atoms by the Gaussian-type functions

Energy of interaction between two hydrogen atoms in their ground states described by Gauss-type function

Approximation of expectation values

Approximation of expectation values by perturbation theor

On optimizing the treatment of exchange perturbations

A method using the zeroth plus first order wave functions, obtained by optimizing the basic equation used in exchange perturbation treatments, is utilized in an attempt to determine the exact energy and wave function in the exchange process. Attempts to determine the first order perturbation solution by optimizing the sum of the first and second order energies were unsuccessful

New partitioning perturbation theory. 1 - General formalism

General formalism of partitioning perturbation theory - Part

The resolution of a perturbed wave function into its symmetry components

Resolving perturbed wave functions into unperturbed Hamiltonian

Different Screening Constants for Different Physical Properties, I

Wave functions with embedded screening constants for quantum mechanical ground state calculations on two-electron atom with nuclear charg

Slater screening constants in atomic and molecular orbitals

Slater screening constants in atomic and molecular orbital