Könyv Valence Bond Methods Gordon A. Gallup

Valence Bond Methods

Theory and Applications

Szerző: Gordon A. Gallup
Nyelv: Angol
Kötés: Puha kötésű
Elérhetőség: Beszállítói készleten
Küldés 9-15 napon belül
18 481 Ft
Valence bond theory is one of two commonly used methods in molecular quantum mechanics, the other is...

Információk a könyvről

Nyelv
Angol
Kötés
Könyv - Puha kötésű
Kiadva
2005
oldal
256
EAN
9780521021272
ISBN
0521021278
Enbook ID
02018199
Súly
414
Méretek
190 x 244 x 14

Teljes leírás

Valence bond theory is one of two commonly used methods in molecular quantum mechanics, the other is molecular orbital theory. This book focuses on the first of these methods, ab initio valence bond theory. The book is split into two parts. Part I gives simple examples of two-electron calculations and the necessary theory to extend these to larger systems. Part II gives a set of case studies of related molecule sets designed to show the nature of the valence bond description of molecular structure. It also highlights the stability of this description to varying basis sets. There are references to the CRUNCH computer program for molecular structure calculations which is currently available in the public domain. The book will be of primary interest to researchers and students working on electronic theory and computation in chemistry and chemical physics.

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