Hidden Bibliographic Details
| Other authors / contributors: | Leszczynski, Jerzy, 1949-
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| ISBN: | 9789812792501
9812792503
9810243715
9789810243715
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| Notes: | Includes bibliographical references and index.
Print version record.
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| Summary: | 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.
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| Other form: | Print version: Computational chemistry. Singapore ; London : World Scientific, ©2000 9810243715
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