On the nonadditivity of the second‐order exchange‐dispersion energy in the interaction of three helium atoms

1987 ◽  
Vol 86 (2) ◽  
pp. 937-946 ◽  
Author(s):  
M. Bulski ◽  
G. Chal/asiński
Keyword(s):  
Second Order ◽  
Dispersion Energy ◽  
Helium Atoms

scholarly journals Second-Order Exchange-Dispersion Energy Based on a Multireference Description of Monomers

2019 ◽  
Vol 15 (12) ◽  
pp. 6712-6723 ◽  
Author(s):  
Michał Hapka ◽  
Michał Przybytek ◽  
Katarzyna Pernal
Keyword(s):  
Second Order ◽  
Dispersion Energy

Second‐Order Dispersion‐Energy Series for Axially Symmetric Molecules

1969 ◽  
Vol 10 (3) ◽  
pp. 539-544 ◽  
Author(s):  
Johannes H. van der Merwe ◽  
Alwyn J. van der Merwe
Keyword(s):  
Second Order ◽  
Axially Symmetric ◽  
Dispersion Energy ◽  
Order Dispersion

On the multipole structure of exchange dispersion energy in the interaction of two helium atoms

1977 ◽  
Vol 33 (4) ◽  
pp. 971-977 ◽  
Author(s):  
G. Chałasiński ◽  
B. Jeziorski ◽  
J. Andzelm ◽  
K. Szalewicz
Keyword(s):  
Dispersion Energy ◽  
Helium Atoms

A Generalized Structure-Dependent Semi-Explicit Method for Structural Dynamics

2018 ◽  
Vol 13 (11) ◽  
Author(s):  
Jinze Li ◽  
Kaiping Yu ◽  
Xiangyang Li
Keyword(s):  
Second Order ◽  
Numerical Dispersion ◽  
The Novel ◽  
Explicit Method ◽  
Dispersion Energy ◽  
Time Step ◽  
Linear Elastic ◽  
Special Cases ◽  
Stability And Accuracy ◽  
Stiffness Softening

In this paper, a novel generalized structure-dependent semi-explicit method is presented for solving dynamical problems. Some existing algorithms with the same displacement and velocity update formulas are included as the special cases, such as three Chang algorithms. In general, the proposed method is shown to be second-order accurate and unconditionally stable for linear elastic and stiffness softening systems. The comprehensive stability and accuracy analysis, including numerical dispersion, energy dissipation, and the overshoot behavior, are carried out in order to gain insight into the numerical characteristics of the proposed method. Some numerical examples are presented to show the suitable capability and efficiency of the proposed method by comparing with other existing algorithms, including three Chang algorithms and Newmark explicit method (NEM). The unconditional stability and second-order accuracy make the novel methods take a larger time-step, and the explicitness of displacement at each time-step succeeds in avoiding nonlinear iterations for solving nonlinear stiffness systems.

Second-Order Dispersion Energy Based on Multireference Description of Monomers

2018 ◽  
Vol 15 (2) ◽  
pp. 1016-1027 ◽  
Author(s):  
Michał Hapka ◽  
Michał Przybytek ◽  
Katarzyna Pernal
Keyword(s):  
Second Order ◽  
Dispersion Energy ◽  
Order Dispersion
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