Ab initio valence calculations in chemistry /
Ab Initio Valence Calculations in Chemistry describes the theory and practice of ab initio valence calculations in chemistry and applies the ideas to a specific example, linear BeH2. Topics covered include the Schrödinger equation and the orbital approximation to atomic orbitals; molecular orbital a...
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| Format: | eBook |
| Language: | English |
| Published: |
London [England] :
Butterworths,
1974.
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| Online Access: | Connect to the full text of this electronic book |
| Summary: | Ab Initio Valence Calculations in Chemistry describes the theory and practice of ab initio valence calculations in chemistry and applies the ideas to a specific example, linear BeH2. Topics covered include the Schrödinger equation and the orbital approximation to atomic orbitals; molecular orbital and valence bond methods; practical molecular wave functions; and molecular integrals. Open shell systems, molecular symmetry, and localized descriptions of electronic structure are also discussed. This book is comprised of 13 chapters and begins by introducing the reader to the use of the Schrödinge. |
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| Physical Description: | 1 online resource (282 pages) : illustrations |
| Bibliography: | Includes bibliographical references and index. |
| ISBN: | 9781483161211 1483161218 |