Computational chemistry : reviews of current trends. Vol. 5 /

This volume comprises six chapters which explore the development and applications of the methods of computational chemistry. The first chapter is on new developments in coupled-cluster (CC) theory. The homotopy method is used to obtain complete sets of solutions of nonlinear CC equations. The corres...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Leszczynski, Jerzy, 1949-
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Singapore ; London : World Scientific, ©2000.
Colección:Computational Chemistry: Reviews of Current Trends.
Temas:
Chemistry > Data processing.
Chemistry > Computer simulation.
Cheminformatics
Chimio-informatique.
Chimie > Simulation par ordinateur.
SCIENCE > Chemistry > Clinical.
Chemistry > Computer simulation
Chemistry > Data processing
Acceso en línea:Texto completo
Descripción
Sumario:This volume comprises six chapters which explore the development and applications of the methods of computational chemistry. The first chapter is on new developments in coupled-cluster (CC) theory. The homotopy method is used to obtain complete sets of solutions of nonlinear CC equations. The correspondence between multiple solutions to the CCSD, CCSDT, and full CI equations is established, and the applications of the new approach in modeling molecular systems are discussed. The second chapter reviews the computational theory for the time-dependent calculations of a solution to the Schrödinger.
Descripción Física:1 online resource (ix, 325 pages) : illustrations
Bibliografía:Includes bibliographical references and index.
ISBN:9789812792501
9812792503

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