Extensive coverage of second quantization and wavefunction formalisms for molecular systems enables deep theoretical understanding
Detailed exposition on basis sets and integral operators supports advanced computational approaches
Comprehensive review of Hartree-Fock theory, CI, MCSCF, and perturbation theory provides a holistic view of quantum chemical methods
Includes calibration of computational methods for reliable results
Written by leading experts in the field for authoritative reference
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Molecular Electronic-Structure Theory Trygve Helgaker | Poul Jorgensen | Jeppe Olsen Science / Chemistry / Physical & Theoretical Spätestens seit der Entwicklung leistungsfähiger Computerprogramme interessieren sich auch Nichtspezialisten für die theoretischen Grundlagen quantenchemischer Berechnungen. Dieses Buch bietet einen umfassende