A chemist's guide to density functional theory / Wolfram Koch, Max C. Holthausen.
Material type:
TextPublisher: Weinheim : Wiley-VCH, 2002Edition: Second edition; Reprinted editionDescription: xiii, 294 pages : illustrations ; 25 cmContent type: - text
- unmediated
- volume
- 3527303723 (pbk.)
- 9783627303723
- 541.28 KOC 22
| Item type | Current library | Collection | Call number | Status | Date due | Barcode | Item holds |
|---|---|---|---|---|---|---|---|
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Central Library First floor | Baccah | 541.28 KOC (Browse shelf(Opens below)) | Available | 000048991 |
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| 541.28 ATK Quanta, Matter, and Change : | 541.28 ATK Molecular quantum mechanics / | 541.28 DAV Reduced density matrices in quantum chemistry / | 541.28 KOC A chemist's guide to density functional theory / | 541.28 LOC Local Density Approximations in Quantum Chemistry and Solid State Physics / | 541.28 MCQ Quantum chemistry / | 541.28 MCQ Quantum chemistry / |
Includes bibliographical references and index.
Many use Density Functional Theory (DFT) programs as black-box tools without having a quantum theoretical background or a concise knowledge about the strength and weaknesses of this approach. This text is designed to bridge the gap and to guide the non-expert user.
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