Potential Energy Surfaces for Vibrational Structure Calculations from a Multiresolution Adaptive Density-Guided Approach: Implementation and Test Calculations-Reference-Cited by-同舟云学术

Potential Energy Surfaces for Vibrational Structure Calculations from a Multiresolution Adaptive Density-Guided Approach: Implementation and Test Calculations

Published:2009-07-07 Issue:30 Volume:113 Page:8712-8723
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Sparta Manuel¹,Høyvik Ida-Marie¹,Toffoli Daniele¹,Christiansen Ove¹

Affiliation:

1. Department of Chemistry, The Lundbeck Foundation Center for Theoretical Chemistry and Center for Oxigen Microscopy and Imaging, University of Aarhus, Langelandsgade 140, DK-8000 Aarhus C, Denmark, Department of Chemistry, Norwegian University of Science and Technology, NO-7491 Trondheim, Norway, and Department of Chemistry, Middle East Technical University, 06531 Ankara, Turkey

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp9035315

Reference78 articles.

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

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

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4. Vibrational wave functions and spectroscopy of (H2O)n,n=2,3,4,5: Vibrational self‐consistent field with correlation corrections

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