First-order interaction energies and the basis set truncation effects

Molecular Physics ◽

10.1080/00268970500356739 ◽

2006 ◽

Vol 104 (3) ◽

pp. 395-407 ◽

Author(s):

Anna Kaczmarek ◽

Andrzej J. Sadlej ◽

Jerzy Leszczynski

Keyword(s):

Basis Set ◽

Interaction Energies ◽

Order Interaction ◽

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Theory of Long-Range Interatomic Forces. III. First-Order Interaction Energies in the Coupled Representation

Physical Review ◽

10.1103/physrev.125.1597 ◽

1962 ◽

Vol 125 (5) ◽

pp. 1597-1602 ◽

Author(s):

Peter R. Fontana

Keyword(s):

Interaction Energies ◽

Order Interaction ◽

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Dimer centred basis set in the calculations of the first-order interaction energy with CI wavefunction

Molecular Physics ◽

10.1080/00268978500100931 ◽

1985 ◽

Vol 54 (5) ◽

pp. 1173-1184 ◽

Author(s):

Grzegorz Chałasiński ◽

Maciej Gutowski

Keyword(s):

Interaction Energy ◽

Basis Set ◽

Order Interaction ◽

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Theory of Long-Range Interatomic Forces. II. First-Order Interaction Energies in the Uncoupled Representation

Physical Review ◽

10.1103/physrev.123.1871 ◽

1961 ◽

Vol 123 (5) ◽

pp. 1871-1881 ◽

Author(s):

Peter R. Fontana

Keyword(s):

Interaction Energies ◽

Order Interaction ◽

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Perturbation theory in1Zfor atoms: First-order pair functions in anl-separated Hylleraas basis set

Physical Review A ◽

10.1103/physreva.28.3179 ◽

1983 ◽

Vol 28 (6) ◽

pp. 3179-3183 ◽

Author(s):

H. M. Schmidt ◽

H. v. Hirschhausen

Keyword(s):

Perturbation Theory ◽

Basis Set ◽

First Order ◽

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Structure and interaction energies of the Ar…Cl2 complex. Application of first-order intermolecular potentials

Chemical Physics Letters ◽

10.1016/0009-2614(96)00992-x ◽

1996 ◽

Vol 261 (4-5) ◽

pp. 591-596 ◽

Author(s):

A.A. Buchachenko ◽

N.F. Stepanov

Keyword(s):

Interaction Energies ◽

Intermolecular Potentials ◽

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Calculating Interaction Energies Using First Principle Theories: Consideration of Basis Set Superposition Error and Fragment Relaxation

Journal of Chemical Education ◽

10.1021/ed084p1225 ◽

2007 ◽

Vol 84 (7) ◽

pp. 1225 ◽

Author(s):

Karl N. Kirschner ◽

Jennifer B. Sorensen ◽

J. Phillip Bowen

Keyword(s):

Basis Set ◽

First Principle ◽

Interaction Energies ◽

Basis Set Superposition Error

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Higher order interaction energies for systems of asymmetric molecules

Molecular Physics ◽

10.1080/00268977100102361 ◽

1971 ◽

Vol 22 (1) ◽

pp. 81-103 ◽

Author(s):

Daniel E. Stogryn

Keyword(s):

Higher Order ◽

Interaction Energies ◽

Order Interaction

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Multiple Regression Models up to First-order Interaction on Hydrochemistry Properties

Asian Journal of Mathematics & Statistics ◽

10.3923/ajms.2012.121.131 ◽

2012 ◽

Vol 5 (4) ◽

pp. 121-131 ◽

Author(s):

Aminatul Hawa Yahay ◽

Noraini Abdullah ◽

H.J. Zainodin

Keyword(s):

Multiple Regression ◽

Regression Models ◽

Order Interaction ◽

First Order ◽

Multiple Regression Models

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Monomer basis-set truncation effects in calculations of interaction energies: A model study

The Journal of Chemical Physics ◽

10.1063/1.1687333 ◽

2004 ◽

Vol 120 (17) ◽

pp. 7837-7848 ◽

Author(s):

Anna Kaczmarek ◽

Andrzej J. Sadlej ◽

Jerzy Leszczynski

Keyword(s):

Basis Set ◽

Interaction Energies ◽

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An accurate calculation of the first‐order interaction energy for the helium dimer

The Journal of Chemical Physics ◽

10.1063/1.456767 ◽

1989 ◽

Vol 91 (8) ◽

pp. 4779-4784 ◽

Author(s):

S. Rybak ◽

K. Szalewicz ◽

B. Jeziorski

Keyword(s):

Interaction Energy ◽

Accurate Calculation ◽

Order Interaction ◽

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