Using rectangular collocation with finite difference derivatives to solve electronic Schrödinger equation
Author:
Affiliation:
1. Department of Mechanical Engineering, National University of Singapore, Block EA #07-08, 9 Engineering Drive 1, Singapore 117576, Singapore
2. Chemistry Department, Queen’s University, Kingston, Ontario K7L 3N6, Canada
Funder
Natural Sciences and Engineering Research Council of Canada
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5052196
Reference59 articles.
1. Using an internal coordinate Gaussian basis and a space-fixed Cartesian coordinate kinetic energy operator to compute a vibrational spectrum with rectangular collocation
2. Using a neural network based method to solve the vibrational Schrödinger equation for H2O
3. On the advantages of a rectangular matrix collocation equation for computing vibrational spectra from small basis sets
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