Statistical estimates of electron correlations
- Tyndall National Institute, Lee Maltings, Prospect Row, Cork (Ireland)
While arbitrarily accurate solutions to the many-body Schroedinger equation are possible through a brute force expansion of the wave function, the length of the expansions required renders the approach intractable except for few-electron problems. By considering the form of the energy resulting from truncation of the many-particle expansion space, it is shown that accurate determination of electron correlations may be extracted from estimates of average or effective energy contributions while maintaining a reduced dimension for the expansion space. An energy formula expressed as a rational function of the expansion vector length is determined, allowing for estimates of asymptotic limits of many-body correlations.
- OSTI ID:
- 20864277
- Journal Information:
- Journal of Chemical Physics, Vol. 125, Issue 5; Other Information: DOI: 10.1063/1.2236115; (c) 2006 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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