Coriolis coupling effects in time-dependent Hartree-Fock calculations of ion-atom collisions

1984 ◽  
Vol 30 (1) ◽  
pp. 600-603 ◽  
Author(s):  
K. R. Sandhya Devi ◽  
J. D. Garcia
Keyword(s):  
Time Dependent ◽  
Coriolis Coupling ◽  
Coupling Effects ◽  
Hartree Fock

Coriolis Coupling Effects in O+(4S) + H2(X1Σg+) → OH+(X3Σ–) + H(2S) Reaction and Its Isotopic Variants: Exact Time-Dependent Quantum Scattering Study

2012 ◽  
Vol 116 (45) ◽  
pp. 10882-10888 ◽  
Author(s):  
Wenwu Xu ◽  
Wenliang Li ◽  
Shuangjiang Lv ◽  
Hongsheng Zhai ◽  
Zhixin Duan ◽  
...  
Keyword(s):  
Time Dependent ◽  
Quantum Scattering ◽  
Coriolis Coupling ◽  
Coupling Effects ◽  
Exact Time ◽  
Scattering Study

Coriolis coupling effects in exact quantum scattering study of the isotopic reaction dynamics of

2014 ◽  
Vol 1032 ◽  
pp. 56-64 ◽  
Author(s):  
Dan Wu ◽  
Yun Wang ◽  
Mingxing Guo ◽  
Shuhui Yin ◽  
Hong Gao ◽  
...  
Keyword(s):  
Reaction Dynamics ◽  
Quantum Scattering ◽  
Coriolis Coupling ◽  
Coupling Effects ◽  
Exact Quantum ◽  
Scattering Study

scholarly journals Theoretical and experimental comparative studies of nonlinear optical properties for selected melaminium compounds

2010 ◽  
Vol 8 (6) ◽  
pp. 1192-1202 ◽  
Author(s):  
Marek Drozd ◽  
Mariusz Marchewka
Keyword(s):  
Optical Properties ◽  
Acetic Acid ◽  
Nonlinear Optical ◽  
Time Dependent ◽  
X Ray ◽  
Hartree Fock ◽  
Optical Applications ◽  
Experimental Values ◽  
Nonlinear Optical Applications ◽  
Theoretical Results

AbstractThe bis(melaminium) sulphate dihydrate, 2,4,6-triamine-1,3,5-triazin-1,3-ium tartrate monohydrate, 2,4,6-triamine-1,3,5-triazin-1-ium hydrogenphthalate, 2,4,6-triamine-1,3,5-triazin-1-ium acetate acetic acid solvate monohydrate, 2,4,6-triamine-1,3,5-triazin-1-ium bis(selenate) trihydrate, melaminium diperchlorate hydrate, melaminium bis(trichloroacetate) monohydrate and melaminium bis(4-hydroxybenzenesulphonate) dihydrate were discovered recently as perspective materials for nonlinear optical applications. On the basis of X-ray structures for eight melaminium compounds the time dependent Hartree Fock (TDHF) method was used for calculation of the polarizability, and first and second hyperpolarizability. Detailed directional studies of calculated hyperpolarizability for all investigated melaminium compounds are shown. The theoretical results are compared with experimental values of β.

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