Using experimental data and a contracted basis Lanczos method to determine an accurate methane potential energy surface from a least squares optimization-Reference-Cited by-同舟云学术

Using experimental data and a contracted basis Lanczos method to determine an accurate methane potential energy surface from a least squares optimization

Published:2014-10-21 Issue:15 Volume:141 Page:154106
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Wang Xiao-Gang¹,Carrington Tucker¹

Affiliation:

1. Chemistry Department, Queen's University, Kingston, Ontario K7L 3N6, Canada

Funder

Canadian Space Agency (Agence Spatiale Canadienne)

Natural Sciences and Engineering Research Council of Canada (Conseil de Recherches en Sciences Naturelles et en Génie du Canada)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4896569

Reference110 articles.

1. High-Resolution Fourier Transform Infrared Spectroscopy

2. Sources of error in electronic structure calculations on small chemical systems

3. An Introduction to Coupled Cluster Theory for Computational Chemists

4. Molpro: a general-purpose quantum chemistry program package

5. Variational quantum approaches for computing vibrational energies of polyatomic molecules

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