Ab initio calculations on the equilibrium constant of the reaction NH2- + H2 ⇌ NH3 + H- by the SCF and many-body Rayleigh-Schrӧdinger perturbation theory

1978 ◽  
Vol 43 (8) ◽  
pp. 1965-1973 ◽  
Author(s):  
Petr Čársky ◽  
Rudolf Zahradník ◽  
Miroslav Urban ◽  
Vladimír Kellӧ
Keyword(s):  
Perturbation Theory ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Equilibrium Constant ◽  
Many Body

scholarly journals Accurate and Efficient ab Initio Calculations for Supramolecular Complexes: Symmetry-Adapted Perturbation Theory with Many-Body Dispersion

2019 ◽  
Vol 10 (11) ◽  
pp. 2706-2714 ◽  
Author(s):  
Kevin Carter-Fenk ◽  
Ka Un Lao ◽  
Kuan-Yu Liu ◽  
John M. Herbert
Keyword(s):  
Perturbation Theory ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Supramolecular Complexes ◽  
Many Body

scholarly journals Three-nucleon forces

2014 ◽  
Vol 23 (09) ◽  
pp. 1430015 ◽  
Author(s):  
Peter U. Sauer
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Body Problem ◽  
Many Body ◽  
Nuclear Systems ◽  
The Difference

In this paper, the role of three-nucleon forces in ab initio calculations of nuclear systems is investigated. The difference between genuine and induced many-nucleon forces is emphasized. Induced forces arise in the process of solving the nuclear many-body problem as technical intermediaries toward calculationally converged results. Genuine forces make up the Hamiltonian. They represent the chosen underlying dynamics. The hierarchy of contributions arising from genuine two-, three- and many-nucleon forces is discussed. Signals for the need of the inclusion of genuine three-nucleon forces are studied in nuclear systems, technically best under control, especially in three-nucleon and four-nucleon systems. Genuine three-nucleon forces are important for details in the description of some observables. Their contributions to observables are small on the scale set by two-nucleon forces.

scholarly journals Ab Initio Many-Body Perturbation Theory Calculations of the Electronic and Optical Properties of Cyclometalated Ir(III) Complexes

2019 ◽  
Vol 16 (2) ◽  
pp. 1188-1199 ◽  
Author(s):  
Marco Cazzaniga ◽  
Fausto Cargnoni ◽  
Marta Penconi ◽  
Alberto Bossi ◽  
Davide Ceresoli
Keyword(s):  
Optical Properties ◽  
Perturbation Theory ◽  
Ab Initio ◽  
Many Body ◽  
Electronic And Optical Properties ◽  
Many Body Perturbation Theory

Quasiparticle electronic structure and optical absorption of diamond nanoparticles from ab initio many-body perturbation theory

2014 ◽  
Vol 140 (21) ◽  
pp. 214315 ◽  
Author(s):  
Huabing Yin ◽  
Yuchen Ma ◽  
Xiaotao Hao ◽  
Jinglin Mu ◽  
Chengbu Liu ◽  
...  
Keyword(s):  
Perturbation Theory ◽  
Electronic Structure ◽  
Optical Absorption ◽  
Ab Initio ◽  
Many Body ◽  
Diamond Nanoparticles ◽  
Many Body Perturbation Theory

Ab initio calculations of many-body energy expansion in Linn+F? clusters

1992 ◽  
Vol 41 (2) ◽  
pp. 281-292 ◽  
Author(s):  
A. S. Shalabi ◽  
M. A. Kamel ◽  
Kh. M. Eid
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Many Body ◽  
Body Energy ◽  
Energy Expansion

Ab initio calculations of many-body interactions for compressed solid argon

2015 ◽  
Vol 143 (17) ◽  
pp. 174506 ◽  
Author(s):  
Chunling Tian ◽  
Fusheng Liu ◽  
Lingcang Cai ◽  
Hongkuan Yuan ◽  
Hong Chen ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Many Body ◽  
Solid Argon ◽  
Many Body Interactions
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