Statistical estimates of electron correlations
While arbitrarily accurate solutions to the many-body Schrodinger 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.
| Medienart: |
Artikel |
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| Erscheinungsjahr: |
2006 |
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| Erschienen: |
2006 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:125 |
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| Enthalten in: |
The Journal of chemical physics - 125(2006), 5 vom: 07. Aug., Seite 054104 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Gyorffy, W [VerfasserIn] |
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| Themen: |
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| Anmerkungen: |
Date Completed 27.07.2007 Date Revised 31.08.2006 published: Print Citation Status PubMed-not-MEDLINE |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM165090332 |
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| 100 | 1 | |a Gyorffy, W |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Statistical estimates of electron correlations |
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| 500 | |a Date Completed 27.07.2007 | ||
| 500 | |a Date Revised 31.08.2006 | ||
| 500 | |a published: Print | ||
| 500 | |a Citation Status PubMed-not-MEDLINE | ||
| 520 | |a While arbitrarily accurate solutions to the many-body Schrodinger 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 | ||
| 650 | 4 | |a Journal Article | |
| 700 | 1 | |a Henderson, Thomas M |e verfasserin |4 aut | |
| 700 | 1 | |a Greer, J C |e verfasserin |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t The Journal of chemical physics |d 1963 |g 125(2006), 5 vom: 07. Aug., Seite 054104 |w (DE-627)NLM042699096 |x 1089-7690 |7 nnns |
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