Journal ArticleDOI
Calculation of Matrix Elements for One‐Dimensional Quantum‐Mechanical Problems
A. S. Dickinson,P. R. Certain +1 more
TLDR
Matrix elements calculation for one dimensional quantum-mechanical problems using transformation theory using matrix elements was studied in this paper, where transformation theory was used to solve the problem of matrix elements calculation.Abstract:
Matrix elements calculation for one dimensional quantum-mechanical problems using transformation theoryread more
Citations
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Journal ArticleDOI
Calculation of band structures by a discrete variable representation based on Bloch functions
TL;DR: In this article, a discrete variable representation based on Bloch functions is proposed for the calculation of band structures in one-dimensional systems, where the solutions are obtained by a single diagonalization without any integration.
Journal ArticleDOI
2D nondirect product discrete variable representation for Schrodinger equation with nonseparable angular variables
TL;DR: In this article, a non-direct product discrete variable representation (NPDVR) based on spherical functions orthogonalized on the grids of the Lebedev or Popov 2D quadratures for the unit sphere was developed.
Journal ArticleDOI
Application of the DVR method to the vibration-rotation spectrum of N2O: derivation of the dipole moment derivatives in Radau coordinates
TL;DR: In this article, the rovibrational line intensities of the N 2 O molecule in its ground electronic state have been used to determine its dipole moment derivatives using a fitting procedure.
Journal ArticleDOI
An adaptable discrete variable representation based on coherent states
TL;DR: In this paper, a discrete variable representation (DVR) is constructed by transforming a finite, nonorthogonal, and overcomplete coherent state (CS) basis to an orthonormal basis via singular value decomposition (SVD).
Book ChapterDOI
Introduction to R -Matrix Theory: Potential Scattering
TL;DR: In this article, the fundamental concepts of R-matrix theory and its role in electron-atom collisions are discussed, as well as its application in non-relativistic and relativistic potential scattering.
References
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