The diagonal correction to the Born–Oppenheimer approximation: Its effect on the singlet–triplet splitting of CH2 and other molecular effects
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.450020
Reference24 articles.
1. Zur Quantentheorie der Molekeln
2. On the evaluation of non-adiabatic coupling matrix elements for large scale CI wavefunctions
3. On the evaluation of nonadiabatic coupling matrix elements for MCSCF/CI wave functions using analytic derivative methods. III. Second derivative terms
4. Force Constants and Dipole‐Moment Derivatives of Molecules from Perturbed Hartree–Fock Calculations. I
5. Analytic third derivatives for self‐consistent‐field wave functions
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