Multi-reference-state perturbation theory for computation of potential-energy surfaces

Gabriel Hose

doi:10.1007/bf00529035

Multi-reference-state perturbation theory for computation of potential-energy surfaces

Theoretica Chimica Acta ◽

10.1007/bf00529035 ◽

1987 ◽

Vol 72 (4) ◽

pp. 303-318 ◽

Cited By ~ 11

Author(s):

Gabriel Hose

Keyword(s):

Perturbation Theory ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Reference State ◽

Energy Surfaces

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Singular nonadiabatic coupling at intersections of potential-energy surfaces by infinite-order perturbation theory

Physical Review A ◽

10.1103/physreva.68.034501 ◽

2003 ◽

Vol 68 (3) ◽

Cited By ~ 3

Author(s):

Florian Dufey

Keyword(s):

Perturbation Theory ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Infinite Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Nonadiabatic Coupling ◽

Energy Surfaces

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Complete active space second order perturbation theory (CASPT2) study of N(2D) + H2O reaction paths on D1 and D0 potential energy surfaces: Direct and roaming pathways

The Journal of Chemical Physics ◽

10.1063/1.4897633 ◽

2014 ◽

Vol 141 (15) ◽

pp. 154303 ◽

Cited By ~ 3

Author(s):

Miho Isegawa ◽

Fengyi Liu ◽

Satoshi Maeda ◽

Keiji Morokuma

Keyword(s):

Perturbation Theory ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Reaction Paths ◽

Complete Active Space ◽

Active Space ◽

Energy Surfaces ◽

Second Order Perturbation Theory

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Symmetry-adapted perturbation theory of potential-energy surfaces for weakly bound molecular complexes

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(94)80124-x ◽

1994 ◽

Vol 307 ◽

pp. 135-151 ◽

Cited By ~ 32

Author(s):

Tatiana Cwiok ◽

Bogumil Jeziorski ◽

Wlodzimierz Kolos ◽

Robert Moszynski ◽

Krzysztof Szalewicz

Keyword(s):

Perturbation Theory ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Molecular Complexes ◽

Weakly Bound ◽

Energy Surfaces

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ChemInform Abstract: Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes.

ChemInform ◽

10.1002/chin.199507346 ◽

2010 ◽

Vol 26 (7) ◽

pp. no-no ◽

Cited By ~ 1

Author(s):

B. JEZIORSKI ◽

R. MOSZYNSKI ◽

K. SZALEWICZ

Keyword(s):

Perturbation Theory ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Van Der Waals ◽

Van Der Waals Complexes ◽

Intermolecular Potential ◽

Theory Approach ◽

Energy Surfaces

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Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes

Chemical Reviews ◽

10.1021/cr00031a008 ◽

1994 ◽

Vol 94 (7) ◽

pp. 1887-1930 ◽

Cited By ~ 1738

Author(s):

Bogumil Jeziorski ◽

Robert Moszynski ◽

Krzysztof Szalewicz

Keyword(s):

Perturbation Theory ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Van Der Waals ◽

Van Der Waals Complexes ◽

Intermolecular Potential ◽

Theory Approach ◽

Energy Surfaces

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Extrapolation methods and scaled perturbation theory for determining intermolecular potential energy surfaces

International Journal of Quantum Chemistry ◽

10.1002/qua.10747 ◽

2003 ◽

Vol 96 (6) ◽

pp. 537-546 ◽

Cited By ~ 5

Author(s):

Matthew P. Hodges ◽

Elena Bichoutskaia ◽

Akyl S. Tulegenov ◽

Richard J. Wheatley

Keyword(s):

Perturbation Theory ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Intermolecular Potential ◽

Extrapolation Methods ◽

Energy Surfaces

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Multireference many‐body perturbation theory: Application to O2 potential energy surfaces

The Journal of Chemical Physics ◽

10.1063/1.445892 ◽

1983 ◽

Vol 79 (3) ◽

pp. 1364-1368 ◽

Cited By ~ 23

Author(s):

Maurice G. Sheppard ◽

Barry I. Schneider ◽

Richard L. Martin

Keyword(s):

Perturbation Theory ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Many Body ◽

Theory Application ◽

Many Body Perturbation Theory ◽

Energy Surfaces

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Perturbation theory applied to potential energy surfaces. I. The choice of a suitable reference function ψ(0)

The Journal of Chemical Physics ◽

10.1063/1.441023 ◽

1981 ◽

Vol 74 (11) ◽

pp. 6312-6318 ◽

Cited By ~ 14

Author(s):

Marc R. Nyden ◽

G. A. Petersson

Keyword(s):

Perturbation Theory ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Reference Function ◽

Suitable Reference ◽

Energy Surfaces

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Characterization of anharmonicities on complex potential energy surfaces: Perturbation theory and simulation

The Journal of Chemical Physics ◽

10.1063/1.1415462 ◽

2001 ◽

Vol 115 (21) ◽

pp. 9627-9636 ◽

Cited By ~ 52

Author(s):

F. Calvo ◽

J. P. K. Doye ◽

D. J. Wales

Keyword(s):

Perturbation Theory ◽

Potential Energy ◽

Complex Potential ◽

Potential Energy Surfaces ◽

Energy Surfaces

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Applications of multireference perturbation theory to potential energy surfaces by optimal partitioning ofH: Intruder states avoidance and convergence enhancement

The Journal of Chemical Physics ◽

10.1063/1.470586 ◽

1995 ◽

Vol 103 (12) ◽

pp. 4990-5010 ◽

Cited By ~ 84

Author(s):

James P. Finley ◽

Rajat K. Chaudhuri ◽

Karl F. Freed

Keyword(s):

Perturbation Theory ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Optimal Partitioning ◽

Multireference Perturbation Theory ◽

Energy Surfaces ◽

Intruder States

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