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Titolo:
ALL ABINITIO AUGER-SPECTRA OF HF AND LIF - ENERGIES, INTENSITIES AND VIBRATIONAL SHIFTS AND BROADENINGS
Autore:
ZAHRINGER K; MEYER HD; CEDERBAUM LS; TARANTELLI F; SGAMELLOTTI A;
Indirizzi:
UNIV HEIDELBERG,INST PHYS CHEM,NEUENHEIMER FELD 253 W-6900 HEIDELBERGGERMANY UNIV PERUGIA,DIPARTIMENTO CHIM I-06100 PERUGIA ITALY
Titolo Testata:
Chemical physics letters
fascicolo: 1-4, volume: 206, anno: 1993,
pagine: 247 - 252
SICI:
0009-2614(1993)206:1-4<247:AAAOHA>2.0.ZU;2-5
Fonte:
ISI
Lingua:
ENG
Soggetto:
GAUSSIAN BASIS FUNCTIONS; HIGH-RESOLUTION SPECTRA; BAND SHAPE FORMATION; ATOMIC BASIS SETS; FIRST-ROW ATOMS; AUTOIONIZATION SPECTRA; NUMERICAL APPLICATIONS; MOLECULAR CALCULATIONS; ELECTRONIC STATES; TRANSITION RATES;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
32
Recensione:
Indirizzi per estratti:
Citazione:
K. Zahringer et al., "ALL ABINITIO AUGER-SPECTRA OF HF AND LIF - ENERGIES, INTENSITIES AND VIBRATIONAL SHIFTS AND BROADENINGS", Chemical physics letters, 206(1-4), 1993, pp. 247-252

Abstract

All ab initio Auger spectra of HF and LiF molecules are presented; nofitting procedures are involved. The energy positions of the Auger bands are calculated in two steps. First, the vertical ab initio energies were calculated by a Green function method. Second, the shift of theenergy position due to the vibrational motions in the core-ionized intermediate state and in the final dicationic states were taken into account. The molecular continuum wave of the Auger electron was computedin order to evaluate the ab initio Auger rate of each main line. The widths of the bands are determined from their vibrational motions and the finite lifetime of the core-ionized state. The generated spectra are in good agreement with the experimental data.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 29/11/20 alle ore 06:16:13