Non-Born–Oppenheimer calculations of the BH molecule
نویسندگان
چکیده
منابع مشابه
Non empirical Calculations on Excited States: The Ethylene Molecule
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چکیده ندارد.
15 صفحه اولExplicitly-correlated non-born-oppenheimer calculations of the HD molecule in a strong magnetic field
Explicitly correlated all-particle Gaussian functions with shifted centers (ECGs) are implemented within the earlier proposed effective variational non-Born-Oppenheimer method for calculating bound states of molecular systems in magnetic field (Adamowicz et al., 2015). The Hamiltonian used in the calculations is obtained by subtracting the operator representing the kinetic energy of the center-...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2009
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.3195061