Numerical solving of the vibrational time-independent Schrödinger equation in one and two dimensions using the variational method
type: Item
instance of: scholarly article
title: Numerical solving of the vibrational time-independent Schrödinger equation in one and two dimensions using the variational method
zbMATH Open document ID: 0990.81026
DOI: 10.1016/S0010-4655(01)00457-X
author: Jernej Stare
author: Janez Mavri
published in: Computer Physics Communications
publication date: 2002-05-15T00:00:00Z
Mathematics Subject Classification ID: 81Q05
Mathematics Subject Classification ID: 81-04
zbMATH DE Number: 1741639
zbMATH Keywords: vibrational spectroscopy
zbMATH Keywords: fitting program
zbMATH Keywords: ab initio or DFT calculated points
zbMATH Keywords: shifted Gaussian basis set
zbMATH Keywords: rectangular basis set
describes a project that uses: GAUSSIAN
describes a project that uses: gnuplot
MaRDI profile type: Publication
cites work: A modular molecular dynamics / quantum dynamics program for non-adiabatic proton transfers in solution
cites work: Solving the 1-, 2-, and 3-dimensional Schrödinger equation for multiminima potentials using the Numerov-Cooley method. An extrapolation formula for energy eigenvalues
cites work: Q5289008
cites work: Structure and thermal properties associated with some hydrogen bonds in crystals, II. Thermal expansion
full work available at URL: s0010-4655(01)00457-x
OpenAlex ID: W2046539773
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description: scientific article; zbMATH DE number 1741639