Bilde av Molecular Electronic-structure Theory Av Trygve (university Of Oslo Norway) Helgaker, Poul (aarhus University Denmark) Jorgensen, Jeppe (university Of

Molecular Electronic-structure Theory Av Trygve (university Of Oslo Norway) Helgaker, Poul (aarhus University Denmark) Jorgensen, Jeppe (university Of

Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods. This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include: * Second quantization with spin adaptation * Gaussian basis sets and molecular-integral evaluation * Hartree-Fock theory * Configuration-interaction and multi-configurational self-consistent theory * Coupled-cluster theory for ground and excited states * Perturbation theory for single- and multi-configurational states * Linear-scaling techniques and the fast multipole method * Explicity correlated wave functions * Basi

Pris: kr 929.00 fra Norli

Butikk	Produktnavn	Lagerstus	Pris
	Molecular Electronic-structure Theory Av Trygve (university Of Oslo Norway) Helgaker, Poul (aarhus University Denmark) Jorgensen, Jeppe (university Of	Se butikk	kr 929.00	Besøk butikk

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Molecular Electronic-structure Theory Av Trygve (university Of Oslo Norway) Helgaker, Poul (aarhus University Denmark) Jorgensen, Jeppe (university Of

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