Explicit core-hole localization and relaxation effects in the calculation of inner-shell spectrum of C2H4

被引：8

作者：

Rocha, AB ^{[1
]}

Bielschowsky, CE ^{[1
]}

机构：

[1] Univ Fed Rio de Janeiro, Inst Quim, BR-21949900 Rio De Janeiro, Brazil

来源：

JOURNAL OF CHEMICAL PHYSICS | 2000年 / 113卷 / 18期

关键词：

D O I：

10.1063/1.1316014

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Theoretical results for K-shell spectrum (C 1s) of ethylene are presented. Core-hole localization and relaxation effects are explicitly considered by means of a three structures generalized multistructural (GMS) wave function. Values for the generalized (GOS) and optical (OOS) oscillator strengths for the low-lying C 1s states are reported. (C) 2000 American Institute of Physics. [S0021-9606(00)30242-2].

引用

页码：7971 / 7975

页数：5

共 50 条

[1] Inner-shell photoionization and core-hole decay of Xe and XeF2
Southworth, Stephen H.
Wehlitz, Ralf
Picon, Antonio
Lehmann, C. Stefan
Cheng, Lan
Stanton, John F.
JOURNAL OF CHEMICAL PHYSICS, 2015, 142 (22):
[2] Probing the delocalized core-hole via inner-shell excitation in N2
Xu, Yuan-Chen
Wang, Shu-Xing
Du, Xiao-Jiao
Wang, Li-Han
Zhu, Lin-Fan
NEW JOURNAL OF PHYSICS, 2022, 24 (05):
[3] INFLUENCE OF CORE-HOLE SCREENING ON MOLECULAR AUGER RATES AND INNER-SHELL LIFETIMES
LARKINS, FP
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1994, 67 (01) : 159 - 162
[4] Multistate vibronic coupling effects in the K-shell excitation spectrum of ethylene: Symmetry breaking and core-hole localization
Koppel, H
Gadea, FX
Klatt, G
Schirmer, J
Cederbaum, LS
JOURNAL OF CHEMICAL PHYSICS, 1997, 106 (11): : 4415 - 4429
[5] MOLECULAR EFFECTS ON INNER-SHELL PHOTOABSORPTION - K-SHELL SPECTRUM OF N-2
DEHMER, JL
DILL, D
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (12): : 5327 - 5334
[6] Detecting coherent core-hole wave-packet dynamics in N2 by time- and angle-resolved inner-shell photoelectron spectroscopy
Inhester, Ludger
Greenman, Loren
Rudenko, Artem
Rolles, Daniel
Santra, Robin
JOURNAL OF CHEMICAL PHYSICS, 2019, 151 (05):
[7] IS X-RAY-ABSORPTION SPECTROSCOPY OF C-60 - THE EFFECTS OF SCREENING AND CORE-HOLE RELAXATION
WASTBERG, B
LUNELL, S
ENKVIST, C
BRUHWILER, PA
MAXWELL, AJ
MARTENSSON, N
PHYSICAL REVIEW B, 1994, 50 (17): : 13031 - 13034
[8] PROTON SPIN-LATTICE RELAXATION IN C2H4 AND MIXTURES OF C2H4 WITH HE, A, AND N-2
REDDY, CPK
SARKAR, KL
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (07): : 3038 - 3041
[9] Vibrationally resolved O is photoelectron spectrum of CO2: Vibronic coupling and dynamic core-hole localization
Kivimaki, A
Kempgens, B
Maier, K
Koppe, HM
Piancastelli, MN
Neeb, M
Bradshaw, AM
PHYSICAL REVIEW LETTERS, 1997, 79 (06) : 998 - 1001
[10] TENTATIVE IDENTIFICATION OF C2H4 IN SPECTRUM OF SATURN
ENCRENAZ, T
COMBES, M
ZEAU, Y
VAPILLON, L
BEREZNE, J
ASTRONOMY & ASTROPHYSICS, 1975, 42 (03) : 355 - 356

← 1 2 3 4 5 →