Monte Carlo configuration interaction applied to multipole moments, ionization energies, and electron affinities
نویسندگان
چکیده
منابع مشابه
Monte carlo configuration interaction applied to multipole moments, ionisation energies and electron affinities
The method of Monte Carlo configuration interaction (MCCI) (Greer, J. Chem. Phys. 1995a, 103, 1821; Tong, Nolan, Cheng, and Greer, Comp. Phys. Comm. 2000, 142, 132) is applied to the calculation of multipole moments. We look at the ground and excited state dipole moments in carbon monoxide. We then consider the dipole of NO, the quadrupole of N2 and of BH. An octupole of methane is also calcula...
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ژورنال
عنوان ژورنال: Journal of Computational Chemistry
سال: 2013
ISSN: 0192-8651
DOI: 10.1002/jcc.23211