+++JCP

[Yu/2]

Опять нужны статьи:

0. William H. Miller, Nicholas C. Handy, and John E. Adams, Reaction path Hamiltonian for polyatomic molecules, J. Chem. Phys. 72, 99 (1980);

Код: Выделить всё

http://dx.doi.org/10.1063/1.438959

1. Xiaobo Ji, Liuming Yan, and Wencong Lu, New torsion potential expression for molecules without rotational symmetry, J. Chem. Phys. 128, 224101 (2008);

Код: Выделить всё

http://dx.doi.org/10.1063/1.2929828

2. Christian R. Evenhuis and Uwe Manthe, Calculating vibrational spectra using modified Shepard interpolated potential energy surfaces, J. Chem. Phys. 129, 024104 (2008);

Код: Выделить всё

http://dx.doi.org/10.1063/1.2951988

3. Bin Li and Wensheng Bian, Efficient quantum calculations of vibrational states of vinylidene in full dimensionality: A scheme with combination of methods, J. Chem. Phys. 129, 024111 (2008);

Код: Выделить всё

http://dx.doi.org/10.1063/1.2953706

Спасибо!

[Demcha]

here...

[Yu/2]

Еще раз спасибо!