Dipole moment derivatives of H2O and H2S
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference45 articles.
1. 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
2. Analytic second derivatives in restricted Hartree–Fock theory. A method for high‐spin open‐shell molecular wave functions
3. Unified theoretical treatment of analytic first and second energy derivatives in open-shell Hartree—Fock theory
4. Analytic energy second derivatives for two-configuration self-consistent-field wave functions. Application to twisted ethylene and to the trimethylene diradical
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