期刊
JOURNAL OF CHEMICAL PHYSICS
卷 136, 期 23, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4729464
关键词
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资金
- Council of Scientific and Industrial Research (CSIR)
- Department of Science and Technology (DST)
- Department of Science and Technology, India
The equation-of-motion coupled-cluster method (EOM-CC) is applied for the first time to calculate the energy and width of a shape resonance in an electron-molecule scattering. The procedure is based on inclusion of complex absorbing potential with EOM-CC theory. We have applied this method to investigate the shape resonance in e(-)N(2), e(-)CO, and e(-)C(2)H(2). (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4729464]
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