Using Electronic Energy Derivative Information in Automated Potential Energy Surface Construction for Vibrational Calculations-Reference-Cited by-同舟云学术

Using Electronic Energy Derivative Information in Automated Potential Energy Surface Construction for Vibrational Calculations

Published:2010-09-17 Issue:10 Volume:6 Page:3162-3175
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Sparta Manuel¹,Hansen Mikkel B.¹,Matito Eduard¹,Toffoli Daniele¹,Christiansen Ove¹

Affiliation:

1. The Lundbeck Foundation Center for Theoretical Chemistry, Center for Oxygen Microscopy and Imaging, Department of Chemistry, University of Aarhus, Langelandsgade 140, DK-8000 Aarhus C, Denmark, Institute of Physics, University of Szczecin, Wielkopolska 15, 70-451 Szczecin, Poland, and Department of Chemistry, Middle East Technical University, 06531 Ankara, Turkey

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct100229f

Reference64 articles.

1. Self‐consistent field energies and wavefunctions for coupled oscillators

2. The self-consistent-field approach to polyatomic vibrations

3. New Formulation and Implementation of Vibrational Self-Consistent Field Theory

4. Mo/ller–Plesset perturbation theory applied to vibrational problems

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