1. Mikkel Bo Hansen, Ove Christiansen, Daniele Toffoli, and Jacob Kongsted, A virtual vibrational self-consistent-field method for efficient calculation of molecular vibrational partition functions and thermal effects on molecular properties, J. Chem. Phys. 128, 174106 (2008);
Код: Выделить всё
http://dx.doi.org/10.1063/1.2912184Код: Выделить всё
http://dx.doi.org/10.1016/j.jct.2008.05.001