Monte Carlo methods in Ab Initio quantum chemistry / B.L. Hammond, W. A. Lester, Jr., P.J. Reynolds
Digitised Book 216.73.216.10 (0)
1994
Information About
This work presents the fundamental background and current status of the application of Monte Carlo methods to the determination of correlation in electronic structure.
Additional Details
- Title
- Monte Carlo methods in Ab Initio quantum chemistry / B.L. Hammond, W. A. Lester, Jr., P.J. Reynolds
- Creators
-
- Hammond, B. L.
- Subject
-
- Quantum chemistry
- Monte Carlo method
- Publisher
-
- World Scientific, 1994
- National Library Board Singapore, 1994
- Contributors
-
- Lester, W. A.
- Reynolds, Peter J. (Peter James)
- Digital Description
- application/pdf, xiv, 304 p.
- Table of Contents
-
- Preface -- 1. Introduction to Monte Carlo methods -- 2. Variational methods -- 3. Green's function methods -- 4. Treating fermions -- 5. Variational trial functions -- 6. Excited states -- 7. Electronic properties -- 8. Derivatives and finite differences -- 9. Heavy atoms -- A. Atomic units -- B. Evaluating the trial function -- C. Sample diffusion Monte Carlo program -- D. Bibliography.
- Copyright
-
- All Rights Reserved. National Library Board Singapore 2009.