Quantum mechanical reactive scattering by a multiconfigurational time-dependent self-consistent field (MCTDSCF) approach

Chemical Physics Letters ◽

10.1016/0009-2614(90)80057-k ◽

1990 ◽

Vol 171 (1-2) ◽

pp. 97-108 ◽

Author(s):

Audrey Dell Hammerich ◽

Ronnie Kosloff ◽

Mark A. Ratner

Keyword(s):

Time Dependent ◽

Quantum Mechanical ◽

Reactive Scattering ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Exact time‐dependent quantum mechanical dissociation dynamics of I2He: Comparison of exact time‐dependent quantum calculation with the quantum time‐dependent self‐consistent field (TDSCF) approximation

The Journal of Chemical Physics ◽

10.1063/1.453063 ◽

1987 ◽

Vol 87 (5) ◽

pp. 2760-2765 ◽

Author(s):

R. H. Bisseling ◽

R. Kosloff ◽

R. B. Gerber ◽

M. A. Ratner ◽

L. Gibson ◽

...

Keyword(s):

Time Dependent ◽

Quantum Mechanical ◽

Quantum Calculation ◽

Quantum Time ◽

Consistent Field ◽

Mechanical Dissociation ◽

Self Consistent ◽

Dissociation Dynamics ◽

Self Consistent Field

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Quantum‐mechanical study of the I2–Ne vibrational predissociation dynamics: A three‐dimensional time‐dependent self‐consistent‐field approach

The Journal of Chemical Physics ◽

10.1063/1.470830 ◽

1996 ◽

Vol 104 (3) ◽

pp. 1047-1055 ◽

Author(s):

A. García‐Vela

Keyword(s):

Three Dimensional ◽

Time Dependent ◽

Quantum Mechanical ◽

Vibrational Predissociation ◽

Field Approach ◽

Consistent Field ◽

Mechanical Study ◽

Self Consistent ◽

Self Consistent Field ◽

Quantum Mechanical Study

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Quantum mechanical computations on very large molecular systems: The local self-consistent field method

Journal of Computational Chemistry ◽

10.1002/jcc.540150303 ◽

1994 ◽

Vol 15 (3) ◽

pp. 269-282 ◽

Author(s):

Vincent Théry ◽

Daniel Rinaldi ◽

Jean-Louis Rivail ◽

Bernard Maigret ◽

György G. Ferenczy

Keyword(s):

Field Method ◽

Quantum Mechanical ◽

Molecular Systems ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Quantum Mechanical Computations

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On the validity of the time-dependent self-consistent-field. approach: application to the vibrational predissociation of Cl2–Ne

Chemical Physics Letters ◽

10.1016/s0009-2614(98)00502-8 ◽

1998 ◽

Vol 290 (1-3) ◽

pp. 155-163 ◽

Author(s):

A Garcı́a-Vela

Keyword(s):

Time Dependent ◽

Vibrational Predissociation ◽

Field Approach ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Semiclassical Dynamics in Phase Space; Time-Dependent Self-Consistent Field Approximation

Stochasticity and Intramolecular Redistribution of Energy ◽

10.1007/978-94-009-3837-3_8 ◽

1987 ◽

pp. 109-121 ◽

Author(s):

Shaul Mukamel ◽

Yi Jing Yan ◽

Jonathan Grad

Keyword(s):

Phase Space ◽

Field Approximation ◽

Time Dependent ◽

Consistent Field ◽

Semiclassical Dynamics ◽

Self Consistent ◽

Self Consistent Field

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The multiconfiguration time‐dependent Hartree–Fock method based on a closed‐shell‐type multiconfiguration self−consistent field reference state and its application to the LiH molecule

The Journal of Chemical Physics ◽

10.1063/1.457818 ◽

1990 ◽

Vol 92 (6) ◽

pp. 3619-3632 ◽

Author(s):

Kotoku Sasagane ◽

Kazuhide Mori ◽

Akira Ichihara ◽

Reikichi Itoh

Keyword(s):

Closed Shell ◽

Time Dependent ◽

Reference State ◽

Hartree Fock ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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A quantum mechanical method for calculating nonlinear optical properties of condensed phase molecules coupled to a molecular mechanics field: A quadratic multiconfigurational self-consistent-field/molecular mechanics response method

The Journal of Chemical Physics ◽

10.1063/1.1400138 ◽

2001 ◽

Vol 115 (17) ◽

pp. 7843-7851 ◽

Author(s):

Tina D. Poulsen ◽

Peter R. Ogilby ◽

Kurt V. Mikkelsen

Keyword(s):

Optical Properties ◽

Molecular Mechanics ◽

Nonlinear Optical ◽

Quantum Mechanical ◽

Mechanical Method ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Quantum Mechanical Method ◽

Response Method

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Time-dependent studies of reaction dynamics: a test of mixed quantum/classical time-dependent self-consistent field approximations

Physical Chemistry Chemical Physics ◽

10.1039/a809263j ◽

1999 ◽

Vol 1 (6) ◽

pp. 1227-1235 ◽

Author(s):

Lichang Wang ◽

Anne B. McCoy

Keyword(s):

Reaction Dynamics ◽

Time Dependent ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Path-integral approach to time-dependent self-consistent field theories

Journal of Physics G Nuclear Physics ◽

10.1088/0305-4616/5/6/001 ◽

1979 ◽

Vol 5 (6) ◽

pp. L91-L94 ◽

Author(s):

H Reinhardt

Keyword(s):

Path Integral ◽

Time Dependent ◽

Field Theories ◽

Integral Approach ◽

Path Integral Approach ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Time-dependent complete active-space self-consistent field method for multielectron dynamics in intense laser fields

2013 Conference on Lasers and Electro-Optics Pacific Rim (CLEOPR) ◽

10.1109/cleopr.2013.6600023 ◽

2013 ◽

Author(s):

A. Takeshi Sato ◽

Kenichi L. Ishikawa

Keyword(s):

Field Method ◽

Time Dependent ◽

Intense Laser ◽

Intense Laser Fields ◽

Laser Fields ◽

Complete Active Space ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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