Generalized oscillator strengths of low-lying electronic excitations in acetylene

被引：12

作者：

Watanabe, Noboru ^{[1
]}

Takahashi, Masahiko ^{[1
]}

机构：

[1] Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 9808577, Japan

来源：

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS | 2020年 / 53卷 / 07期

关键词：

acetylene; electron energy loss spectroscopy; generalized oscillator strength; vibronic effect; GERADE RYDBERG STATES; CROSS-SECTIONS; HIGH-RESOLUTION; UV SPECTRUM; AB-INITIO; EXCITED-STATES; ENERGY-LOSS; BASIS-SETS; SPECTROSCOPY; C2H2;

D O I：

10.1088/1361-6455/ab6cc5

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

This paper reports a theoretical study on electron-impact excitations of acetylene. Momentum-transfer-dependent generalized oscillator strengths (GOSs) or GOS profiles have been calculated using wavefunctions at the equation-of-motion coupled-cluster singles and doubles level. In the calculation the influence of molecular vibration has been taken into account. The computed results are in overall agreement with experimental GOS profiles reported in the literature. Our theoretical analysis has revealed prominent roles of bending vibrations in the low-lying valence excitations induced by electron impact.

引用

页数：8

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