A Chemist's Guide to Density Functional Theory. ([2015?])
- Record Type:
- Book
- Title:
- A Chemist's Guide to Density Functional Theory. ([2015?])
- Main Title:
- A Chemist's Guide to Density Functional Theory
- Further Information:
- Note: Wolfram Koch, Max C. Holthausen.
- Authors:
- Koch, Wolfram
Holthausen, Max C - Contents:
- PART A: THE DEFINITION OF THE MODEL; Elementary Quantum Chemistry; Electron Density and Hole Functions; The Electron Density as Basic Variable: Early Attempts; The Hohenberg-Kohn Theorems; The Kohn-Sham Approach; The Quest for Approximate Exchange-Correlation Functionals; The Basic Machinery of Density Functional Programs; PART B: THE PERFORMANCE OF THE MODEL; Molecular Structures and Vibrational Frequencies; Relative Energies and Thermochemistry; Electric Properties; Magnetic Properties; Hydrogen Bonds and Weakly Bound Systems; Chemical Reactivity: Exploration of Potential Energy Surfaces
- Edition:
- Second edition
- Publisher Details:
- Weinheim : Wiley-VCH
- Publication Date:
- 2015
- Copyright Date:
- 2001
- Extent:
- 1 online resource, illustrations
- Subjects:
- 541.28
Density functionals
Quantum chemistry -- Mathematics - Languages:
- English
- ISBNs:
- 9783527802814
- Related ISBNs:
- 3527304223
3527303723 - Notes:
- Note: Includes bibliographical references and index.
- Access Rights:
- Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
- Access Usage:
- Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.
- View Content:
- Available online (eLD content is only available in our Reading Rooms) ↗
- Physical Locations:
- British Library HMNTS - ELD.DS.42166
- Ingest File:
- 01_016.xml