Abstract
While arbitrarily accurate solutions to the many-body Schrödinger 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.
Original language | English |
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Article number | 054104 |
Journal | Journal of Chemical Physics |
Volume | 125 |
Issue number | 5 |
DOIs | |
Publication status | Published - 2006 |
Externally published | Yes |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry