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Titolo:
PATH-INTEGRAL SIMULATIONS OF ZERO-POINT EFFECTS FOR IMPLANTED MUONS IN BENZENE
Autore:
VALLADARES RM; FISHER AJ; HAYES W;
Indirizzi:
UNIV OXFORD,CLARENDON LAB,PARKS RD OXFORD OX1 3PU ENGLAND UNIV DURHAM,DEPT PHYS,SCI LABS DURHAM DH1 3LE ENGLAND
Titolo Testata:
Chemical physics letters
fascicolo: 1-2, volume: 242, anno: 1995,
pagine: 1 - 6
SICI:
0009-2614(1995)242:1-2<1:PSOZEF>2.0.ZU;2-0
Fonte:
ISI
Lingua:
ENG
Soggetto:
LEVEL-CROSSING SPECTROSCOPY; ANOMALOUS MUONIUM; ELEMENTAL SEMICONDUCTORS; MUONATED CYCLOHEXADIENYL; INTERSTITIAL HYDROGEN; HYPERFINE PROPERTIES; SILICON; RADICALS; GERMANIUM; ELECTRON;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
26
Recensione:
Indirizzi per estratti:
Citazione:
R.M. Valladares et al., "PATH-INTEGRAL SIMULATIONS OF ZERO-POINT EFFECTS FOR IMPLANTED MUONS IN BENZENE", Chemical physics letters, 242(1-2), 1995, pp. 1-6

Abstract

We describe a simulation method which is capable of treating the quantum fluctuations of an implanted muon and the electronic structure of the system simultaneously. The partition function for the muon is evaluated using a discretized imaginary-time path-integral technique, using electronic energies and forces evaluated from a semi-empirical quantum chemical treatment of the electronic structure. An application to the cyclohexadienyl radical (C6H7) and its muonated analogue (C(6)H(6)Mu) is presented.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 24/11/20 alle ore 08:20:37