Towards a new correction method for the basis set superposition error: Application to the ammonia dimer

Francis F. Muguet; G. Wilse Robinson

doi:10.1063/1.468593

Towards a new correction method for the basis set superposition error: Application to the ammonia dimer

The Journal of Chemical Physics ◽

10.1063/1.468593 ◽

1995 ◽

Vol 102 (9) ◽

pp. 3648-3654 ◽

Cited By ~ 27

Author(s):

Francis F. Muguet ◽

G. Wilse Robinson

Keyword(s):

Correction Method ◽

Basis Set ◽

Basis Set Superposition Error ◽

Ammonia Dimer

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Evaluation of the vibration‐rotation‐tunneling dynamics at the basis set superposition error corrected global minimum geometry of the ammonia dimer

The Journal of Chemical Physics ◽

10.1063/1.468594 ◽

1995 ◽

Vol 102 (9) ◽

pp. 3655-3661 ◽

Cited By ~ 8

Author(s):

Francis F. Muguet ◽

G. Wilse Robinson ◽

M. Palmyre Bassez‐Muguet

Keyword(s):

Global Minimum ◽

Basis Set ◽

Basis Set Superposition Error ◽

Vibration Rotation ◽

Tunneling Dynamics ◽

Ammonia Dimer

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Enthalpy difference between conformations of normal alkanes: effects of basis set and chain length on intramolecular basis set superposition error

Molecular Physics ◽

10.1080/00268976.2011.558858 ◽

2011 ◽

Vol 109 (6) ◽

pp. 943-953 ◽

Cited By ~ 22

Author(s):

Roman M. Balabin

Keyword(s):

Chain Length ◽

Basis Set ◽

Normal Alkanes ◽

Basis Set Superposition Error ◽

Enthalpy Difference

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On basis set superposition error corrected stabilization energies for large n-body clusters

The Journal of Chemical Physics ◽

10.1063/1.3644961 ◽

2011 ◽

Vol 135 (13) ◽

pp. 134118 ◽

Cited By ~ 9

Author(s):

Katarzyna Walczak ◽

Joachim Friedrich ◽

Michael Dolg

Keyword(s):

Basis Set ◽

Basis Set Superposition Error ◽

Large N ◽

Stabilization Energies

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Perturbation expansion theory corrected from basis set superposition error II. Charge transfer, pair correlationand dispersion terms

Theoretical Chemistry Accounts ◽

10.1007/s00214-006-0157-6 ◽

2006 ◽

Vol 117 (1) ◽

pp. 137-144 ◽

Cited By ~ 17

Author(s):

Suehiro Iwata ◽

Takeshi Nagata

Keyword(s):

Charge Transfer ◽

Perturbation Expansion ◽

Basis Set ◽

Basis Set Superposition Error ◽

Expansion Theory ◽

Dispersion Terms

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Basis set superposition error in calculations of nonadditive effects in Li(NH3) and Li(NH3)+ (n=1–4) clusters

Chemical Physics Letters ◽

10.1016/s0009-2614(00)00721-1 ◽

2000 ◽

Vol 325 (4) ◽

pp. 465-472 ◽

Cited By ~ 13

Author(s):

Krzysztof Mierzwicki ◽

Zdzisław Latajka

Keyword(s):

Basis Set ◽

Basis Set Superposition Error ◽

Nonadditive Effects

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Quantitative assessment of the effect of basis set superposition error on the electron density of molecular complexes by means of quantum molecular similarity measures

International Journal of Quantum Chemistry ◽

10.1002/qua.22039 ◽

2009 ◽

Vol 109 (11) ◽

pp. 2572-2580

Author(s):

Pedro Salvador ◽

Xavier Fradera ◽

Miquel Duran

Keyword(s):

Electron Density ◽

Quantitative Assessment ◽

Molecular Similarity ◽

Similarity Measures ◽

Molecular Complexes ◽

Basis Set ◽

Basis Set Superposition Error ◽

Quantum Molecular Similarity

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Intermolecular interactions using small basis sets: Perturbation theory calculations avoiding basis set superposition error

Chemical Physics Letters ◽

10.1016/0009-2614(86)80377-3 ◽

1986 ◽

Vol 128 (4) ◽

pp. 358-362 ◽

Cited By ~ 32

Author(s):

Péter R. Śurján ◽

Raymond A. Poirier

Keyword(s):

Perturbation Theory ◽

Intermolecular Interactions ◽

Basis Set ◽

Basis Sets ◽

Basis Set Superposition Error

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On the importance of the inclusion of the basis set superposition error counterpoise correction during optimization of ion-π complexes

Chemical Physics Letters ◽

10.1016/j.cplett.2008.02.074 ◽

2008 ◽

Vol 455 (4-6) ◽

pp. 325-330 ◽

Cited By ~ 8

Author(s):

Daniel Escudero ◽

Antonio Frontera ◽

David Quiñonero ◽

Pere M. Deyà

Keyword(s):

Basis Set ◽

Basis Set Superposition Error ◽

Counterpoise Correction

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Proper correction for the basis set superposition error in SCF calculations of intermolecular interactions

Molecular Physics ◽

10.1080/00268978700101101 ◽

1987 ◽

Vol 61 (1) ◽

pp. 233-247 ◽

Cited By ~ 121

Author(s):

Maciej Gutowski ◽

Frans B. Van Duijneveldt ◽

Grzegorz Chałasiński ◽

Lucjan Piela

Keyword(s):

Intermolecular Interactions ◽

Basis Set ◽

Basis Set Superposition Error ◽

Scf Calculations

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Effect of secondary basis-set superposition error upon calculated vibrational intensities

Chemical Physics Letters ◽

10.1016/0009-2614(86)80551-6 ◽

1986 ◽

Vol 131 (3) ◽

pp. 230-236 ◽

Cited By ~ 16

Author(s):

M.M. Szczesniak ◽

Steve Scheiner

Keyword(s):

Basis Set ◽

Basis Set Superposition Error

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