A Comparison of One-Particle Basis Set Completeness, Higher-Order Electron Correlation, Relativistic Effects, and Adiabatic Corrections for Spectroscopic Constants of BH, CH+, and NH-Reference-Cited by-同舟云学术

A Comparison of One-Particle Basis Set Completeness, Higher-Order Electron Correlation, Relativistic Effects, and Adiabatic Corrections for Spectroscopic Constants of BH, CH+, and NH

Published:2004-02-04 Issue:15 Volume:108 Page:3068-3075
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Temelso Berhane¹,Valeev Edward F.¹,Sherrill C. David¹

Affiliation:

1. Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp036933%2B

Reference41 articles.

1. Water on the Sun: Line Assignments Based on Variational Calculations

2. High-Accuracy ab Initio Rotation-Vibration Transitions for Water

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