Ab initio calculations and modeling of three-body forces in Ar2H2O

2002 ◽  
Vol 90 (3) ◽  
pp. 1215-1231
Author(s):  
Rudolf Burcl ◽  
M. M. Szczȩśniak ◽  
Jacek Kłos ◽  
Grzegorz Chałasiński ◽  
Sławomir M. Cybulski
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Body Forces ◽  
Three Body

Modeling of the three-body effects in the Ar[sub 2]O[sup −] trimer from ab initio calculations

2003 ◽  
Vol 118 (6) ◽  
pp. 2731 ◽  
Author(s):  
Jacek Jakowski ◽  
Grzegorz Chałasiński ◽  
S. M. Cybulski ◽  
M. M. Szczȩśniak
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Three Body

Ab initio calculations of three-body interactions in cryocrystals under pressure

2011 ◽  
Vol 37 (5) ◽  
pp. 445-449 ◽  
Author(s):  
Ie. Ie. Horbenko ◽  
I. V. Zhikharev ◽  
E. P. Troitskaya ◽  
Val. V. Chabanenko ◽  
N. V. Kuzovoi
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Three Body

Solvation of Li+ by argon: how important are three-body forces?

2017 ◽  
Vol 19 (37) ◽  
pp. 25707-25716 ◽  
Author(s):  
Frederico V. Prudente ◽  
Jorge M. C. Marques ◽  
Francisco B. Pereira
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Global Geometry ◽  
Body Forces ◽  
Three Body

A global geometry search on a new potential energy surface for Li+Arn clusters revealed that three-body interactions must be included to reproduce ab initio structures and accurate energetic features.

Ab initio calculations in three-body cluster systems

2013 ◽  
Author(s):  
C. Romero-Redondo ◽  
P. Navrátil ◽  
S. Quaglioni
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Cluster Systems ◽  
Three Body

Millimetre-wave and infrared spectroscopy of Br13 CN: anharmonic force field of cyanogen bromide from spectroscopic data and ab initio calculations

1997 ◽  
Vol 90 (3) ◽  
pp. 495-497
Author(s):  
CLAUDIO ESPOSTI ◽  
FILIPPO TAMASSIA ◽  
CRISTINA PUZZARINI ◽  
RICCARDO TARRONI ◽  
ZDENEK ZELINGER
Keyword(s):  
Infrared Spectroscopy ◽  
Force Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Spectroscopic Data ◽  
Cyanogen Bromide ◽  
Millimetre Wave ◽  
Anharmonic Force
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