First derivative of molecular integrals for electronic energy using spherical gaussian type orbitals
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference19 articles.
1. Modern Quantum Chemistry;Szabo,1982
2. Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules
3. Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules
4. Ab initiocalculation of force constants and equilibrium geometries
5. Explicit Formulas for the Determination of the Exponents for Gaussian Atomic Orbitals
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