Analytic force constants for post‐Hartree–Fock wave functions: The simplest case
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.444852
Reference10 articles.
1. Automatic Fundamental Calculations of Molecular Structure
2. Generalization of analytic configuration interaction (CI) gradient techniques for potential energy hypersurfaces, including a solution to the coupled perturbed Hartree–Fock equations for multiconfiguration SCF molecular wave functions
3. Symmetries of activated complexes
4. Reaction path Hamiltonian: Tunneling effects in the unimolecular isomerization HNC→HCN
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