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

Vortex Lattices in Quantum Mechanics

Vortex lattices are constructed in terms of linear combinations of solutions for Scr\"{o}dinger equation with a constant potential. The vortex lattices are mapped on the spaces with two-dimensional rotationally symmetric potentials by using conformal mappings and the differences of the mapped vortex-patterns are examined. The existence of vortex dipole and quadrupole is also pointed out.Comment: 13 page

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

Transmission properties in waveguides: An optical streamline analysis

A novel approach to study transmission through waveguides in terms of optical streamlines is presented. This theoretical framework combines the computational performance of beam propagation methods with the possibility to monitor the passage of light through the guiding medium by means of these sampler paths. In this way, not only the optical flow along the waveguide can be followed in detail, but also a fair estimate of the transmitted light (intensity) can be accounted for by counting streamline arrivals with starting points statistically distributed according to the input pulse. Furthermore, this approach allows to elucidate the mechanism leading to energy losses, namely a vortical dynamics, which can be advantageously exploited in optimal waveguide design.Comment: 8 pages, 4 figure

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