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Implementations of Valence Bond Methods in Standard Ab Initio Packages

2 IMPLEMENTATIONS OF VALENCE BOND METHODS IN STANDARD AB INITIO PACKAGES [Pg.258]

Hiberty, S. Shaik, J. Comput. Chem. 28, 137 (2007). A Survey of Recent Developments of Ab Initio Valence Bond Theory. [Pg.258]

Prosser, S. Hagstrom, Int. J. Quant. Chem. 2, 89 (1968). On the Rapid Computation of Matrix Elements. [Pg.258]

Gerratt, Adv. At. Mol. Phys. 7, 141 (1971). General Theory of Spin-Coupled Wave Functions for Atoms and Molecules. [Pg.259]

Raimondi, W. Campion, M. Karplus, Mol. Phys. 34, 1483 (1977). Convergence of the Valence Bond Calculation for Methane. [Pg.259]




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AB-method

Ab Initio Packages

Ab initio method

Implementation 245 Standards

In packaging

Method standardization

Package STANDARD

Package standardized

Standard method

Standard valency

Standardizing method

Valence Bond methods

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