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Vibrational effects on electron-molecule scattering for polyatomics in the first Born approximation: H2O

 

作者: Martin Breitenstein,   Richard J. Mawhorter,   Hermann Meyer,   Armin Schweig,  

 

期刊: Molecular Physics  （Taylor Available online 1986）
卷期: Volume 57, issue 1  

页码: 81-88

 

ISSN:0026-8976

 

年代: 1986

 

DOI:10.1080/00268978600100061

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

Polyatomic vibrational effects on electron-molecule scattering have been studied by approximate Hartree-Fock calculations in the first Born approximation on the normal vibrational modes of H2O in the ground state. The harmonic and anharmonic effects, which are discussed in detail are small, lending credence to the practice of comparing cross sections calculated at a fixed geometry with (averaged) experimental data.

 

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