Investigation of the highest occupied molecular orbital of propene by binary (e, 2e) spectroscopy

C. G. Ning; X. G. Ren; J. K. Deng; S. F. Zhang; G. L. Su; H. Zhou; B. Li; F. Huang; G. Q. Li

doi:10.1016/j.cplett.2004.12.020

Investigation of the highest occupied molecular orbital of propene by binary (e, 2e) spectroscopy

C. G. Ning
, X. G. Ren
, J. K. Deng
, S. F. Zhang
, G. L. Su
, H. Zhou
, B. Li
, F. Huang
, G. Q. Li

Tsinghua University

科研成果: 期刊稿件 › 文章 › 同行评审

6 引用（Scopus）

摘要

We report here the first measurements of the momentum profile of highest occupied molecular orbital (HOMO) and the complete valence shell binding energy spectra of propene with impact energies of 600 and 1200 eV by a binary (e, 2e) spectrometer. The experimental momentum profile of the HOMO orbitals was compared with the theoretical momentum distributions calculated using Hartree-Fock and density functional theory methods with various basis sets. The discrepancy between experimental and theoretical data was explained using the distorted wave effects.

源语言	英语
页（从-至）	175-179
页数	5
期刊	Chemical Physics Letters
卷	402
期	1-3
DOI	https://doi.org/10.1016/j.cplett.2004.12.020
出版状态	已出版 - 24 1月 2005
已对外发布	是

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10.1016/j.cplett.2004.12.020

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abstract = "We report here the first measurements of the momentum profile of highest occupied molecular orbital (HOMO) and the complete valence shell binding energy spectra of propene with impact energies of 600 and 1200 eV by a binary (e, 2e) spectrometer. The experimental momentum profile of the HOMO orbitals was compared with the theoretical momentum distributions calculated using Hartree-Fock and density functional theory methods with various basis sets. The discrepancy between experimental and theoretical data was explained using the distorted wave effects.",

author = "Ning, \{C. G.\} and Ren, \{X. G.\} and Deng, \{J. K.\} and Zhang, \{S. F.\} and Su, \{G. L.\} and H. Zhou and B. Li and F. Huang and Li, \{G. Q.\}",

year = "2005",

month = jan,

day = "24",

doi = "10.1016/j.cplett.2004.12.020",

language = "英语",

volume = "402",

pages = "175--179",

journal = "Chemical Physics Letters",

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TY - JOUR

T1 - Investigation of the highest occupied molecular orbital of propene by binary (e, 2e) spectroscopy

AU - Ning, C. G.

AU - Ren, X. G.

AU - Deng, J. K.

AU - Zhang, S. F.

AU - Su, G. L.

AU - Zhou, H.

AU - Li, B.

AU - Huang, F.

AU - Li, G. Q.

PY - 2005/1/24

Y1 - 2005/1/24

N2 - We report here the first measurements of the momentum profile of highest occupied molecular orbital (HOMO) and the complete valence shell binding energy spectra of propene with impact energies of 600 and 1200 eV by a binary (e, 2e) spectrometer. The experimental momentum profile of the HOMO orbitals was compared with the theoretical momentum distributions calculated using Hartree-Fock and density functional theory methods with various basis sets. The discrepancy between experimental and theoretical data was explained using the distorted wave effects.

AB - We report here the first measurements of the momentum profile of highest occupied molecular orbital (HOMO) and the complete valence shell binding energy spectra of propene with impact energies of 600 and 1200 eV by a binary (e, 2e) spectrometer. The experimental momentum profile of the HOMO orbitals was compared with the theoretical momentum distributions calculated using Hartree-Fock and density functional theory methods with various basis sets. The discrepancy between experimental and theoretical data was explained using the distorted wave effects.

UR - https://www.scopus.com/pages/publications/11444265700

U2 - 10.1016/j.cplett.2004.12.020

DO - 10.1016/j.cplett.2004.12.020

M3 - 文章

AN - SCOPUS:11444265700

SN - 0009-2614

VL - 402

SP - 175

EP - 179

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-3

ER -

Investigation of the highest occupied molecular orbital of propene by binary (e, 2e) spectroscopy

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