Determination of the anharmonic force constants of the ammonia molecule on the basis of a simple one-center approximation

1973 ◽  
Vol 6 (5) ◽  
pp. 545-548
Author(s):  
L. V. Belyavskaya ◽  
V. P. Morozov
Keyword(s):  
Force Constants ◽  
Ammonia Molecule ◽  
Anharmonic Force

The determination of force constants from isotopic frequencies using parameter representation

1973 ◽  
Vol 16 (1) ◽  
pp. 149-157 ◽  
Author(s):  
T.R. Ananthakrishnan ◽  
C.P. Girijavallabhan ◽  
G. Aruldhas
Keyword(s):  
Force Constants ◽  
Parameter Representation

Determination of the Force Constants of Non-linear XY2 Molecules in the Gas-Phase by the GF Matrix Method

2004 ◽  
Vol 59 (9) ◽  
pp. 621-622 ◽  
Author(s):  
Fatih Ucun ◽  
Vesile Gūçlü
Keyword(s):  
Gas Phase ◽  
Condensed Phase ◽  
Matrix Method ◽  
Solid Phase ◽  
Force Constants ◽  
Matrix Solution ◽  
The Matrix ◽  
Newton Raphson ◽  
Raphson Method

The force constants of the internal coordinates of nonlinear XY2 molecules in the gas-phase were calculated by using the GF matrix method. The matrix solution was carried out by means a computer program built relative to the Newton-Raphson method and the calculations were listed in a table. The force constants of some molecules in the liquidand solid- phase were also found and compared with these ones, and it was seen that the force constants for more condensed phase are lower as in an agreement with having its lower frequency.

Determination of the anharmonic potential constants for the ammonia molecule using an extended basis set of one-center wavefunctions

1975 ◽  
Vol 10 (1) ◽  
pp. 67-70
Author(s):  
L. V. Belyavskaya ◽  
G. O. Yarkovoi ◽  
V. E. Sorochinskaya ◽  
A. A. Stempkovskaya ◽  
V. P. Morozov
Keyword(s):  
Basis Set ◽  
Ammonia Molecule ◽  
Anharmonic Potential ◽  
Extended Basis
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