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Titolo: Demonstration of initial-state dependence in time-dependent density-functional theory - art. no. 042501
Autore: Maitra, NT; Burke, K;
- Indirizzi:
- Rutgers State Univ, Dept Chem & Phys, Piscataway, NJ 08854 USA Rutgers State Univ Piscataway NJ USA 08854 Phys, Piscataway, NJ 08854 USA
- Titolo Testata:
- PHYSICAL REVIEW A
fascicolo: 4,
volume: 6304,
anno: 2001,
pagine: 2501 -
- SICI:
- 1050-2947(200104)6304:4<2501:DOIDIT>2.0.ZU;2-F
- Fonte:
- ISI
- Lingua:
- ENG
- Soggetto:
- ELECTRON CORRELATION; WAVE-FUNCTIONS; SYSTEMS; POTENTIALS; ENERGY;
- Tipo documento:
- Article
- Natura:
- Periodico
- Settore Disciplinare:
- Physical, Chemical & Earth Sciences
- --discip_EC--
- Citazioni:
- 30
- Recensione:
- Indirizzi per estratti:
- Indirizzo: Maitra, NT Rutgers State Univ, Dept Chem & Phys, Piscataway, NJ 08854 USA Rutgers State Univ Piscataway NJ USA 08854 taway, NJ 08854 USA
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- Citazione:
- N.T. Maitra e K. Burke, "Demonstration of initial-state dependence in time-dependent density-functional theory - art. no. 042501", PHYS REV A, 6304(4), 2001, pp. 2501
Abstract
Time-dependent density functionals depend in principle on the initial state of a system, but this is ignored in functional approximations presently in use. For one electron, it is shown that there is no initial-state dependence: for any density, only one initial state produces a well-behaved potential. For two noninteracting electrons with the same spin in one dimension, an initial potential that makes an alternative initial wave function evolvewith the same density and current as a ground state is calculated. This potential is well-behaved, and can be made arbitrarily different from the original potential.
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Documento generato il 24/05/13 alle ore 05:28:59