Adding configuration interaction to the time‐dependent Hartree grid approximation

The Journal of Chemical Physics ◽

10.1063/1.458664 ◽

1990 ◽

Vol 93 (7) ◽

pp. 4740-4749 ◽

Author(s):

José Campos‐Martínez ◽

Rob D. Coalson

Keyword(s):

Configuration Interaction ◽

Time Dependent ◽

Grid Approximation

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Electronic Excitations in Pyrrole: A Test Case for Determination of Chromophores in the Chromogenic Effects of Neurotoxic Hydrocarbons by Time-Dependent Density Functional Theory and Single-Excitation Configuration Interaction Methods

Journal of Molecular Spectroscopy ◽

10.1006/jmsp.2002.8622 ◽

2002 ◽

Vol 216 (1) ◽

pp. 81-89 ◽

Author(s):

Chang-Guo Zhan ◽

David A. Dixon

Keyword(s):

Density Functional Theory ◽

Configuration Interaction ◽

Density Functional ◽

Time Dependent ◽

Test Case ◽

Electronic Excitations ◽

Functional Theory ◽

Dependent Density

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Laser-driven electron transfer through metal-insulator-metal contacts: Time-dependent configuration interaction singles calculations for a jellium model

Physical Review B ◽

10.1103/physrevb.68.245421 ◽

2003 ◽

Vol 68 (24) ◽

Author(s):

Tillmann Klamroth

Keyword(s):

Electron Transfer ◽

Configuration Interaction ◽

Time Dependent ◽

Jellium Model ◽

Metal Contacts ◽

Metal Insulator ◽

Metal Insulator Metal

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Time-Dependent Configuration Interaction Using the Graphical Unitary Group Approach: Nonlinear Electric Properties

Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems - Advances in Quantum Chemistry ◽

10.1016/bs.aiq.2017.06.003 ◽

2018 ◽

pp. 295-313 ◽

Author(s):

Patrick J. Lestrange ◽

Mark R. Hoffmann ◽

Xiaosong Li

Keyword(s):

Configuration Interaction ◽

Unitary Group ◽

Electric Properties ◽

Time Dependent ◽

Group Approach ◽

Unitary Group Approach ◽

Graphical Unitary Group Approach

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Gauge-Invariant Time-Dependent Configuration Interaction Singles Method for Molecular Strong Field Physics

The 22nd International Conference on Ultrafast Phenomena 2020 ◽

10.1364/up.2020.tu4b.47 ◽

2020 ◽

Author(s):

Takuma Teramura ◽

Takeshi Sato ◽

Kenichi L. Ishikawa

Keyword(s):

Configuration Interaction ◽

Strong Field ◽

Time Dependent ◽

Gauge Invariant ◽

Strong Field Physics

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Gauge-Invariant Formulation of Time-Dependent Configuration Interaction Singles Method

Applied Sciences ◽

10.3390/app8030433 ◽

2018 ◽

Vol 8 (3) ◽

pp. 433 ◽

Author(s):

Takeshi Sato ◽

Takuma Teramura ◽

Kenichi Ishikawa

Keyword(s):

Configuration Interaction ◽

Time Dependent ◽

Gauge Invariant ◽

Invariant Formulation

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Implementation of the time-dependent configuration-interaction singles method for atomic strong-field processes

Physical Review A ◽

10.1103/physreva.82.023406 ◽

2010 ◽

Vol 82 (2) ◽

Author(s):

Loren Greenman ◽

Phay J. Ho ◽

Stefan Pabst ◽

Eugene Kamarchik ◽

David A. Mazziotti ◽

...

Keyword(s):

Configuration Interaction ◽

Strong Field ◽

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Configuration Interaction-Corrected Tamm–Dancoff Approximation: A Time-Dependent Density Functional Method with the Correct Dimensionality of Conical Intersections

The Journal of Physical Chemistry Letters ◽

10.1021/jz402549p ◽

2014 ◽

Vol 5 (2) ◽

pp. 322-328 ◽

Author(s):

Shaohong L. Li ◽

Aleksandr V. Marenich ◽

Xuefei Xu ◽

Donald G. Truhlar

Keyword(s):

Configuration Interaction ◽

Density Functional ◽

Density Functional Method ◽

Functional Method ◽

Time Dependent ◽

Conical Intersections ◽

Dependent Density

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Energy Decomposition Analysis for Excimers Using Absolutely Localized Molecular Orbitals within Time-Dependent Density Functional Theory and Configuration Interaction with Single Excitations

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.8b00537 ◽

2018 ◽

Vol 14 (10) ◽

pp. 5156-5168 ◽

Author(s):

Qinghui Ge ◽

Martin Head-Gordon

Keyword(s):

Density Functional Theory ◽

Configuration Interaction ◽

Density Functional ◽

Decomposition Analysis ◽

Time Dependent ◽

Energy Decomposition Analysis ◽

Energy Decomposition ◽

Functional Theory ◽

Localized Molecular Orbitals ◽

Dependent Density

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Angular dependence of strong field ionization of N2 by time-dependent configuration interaction using density functional theory and the Tamm-Dancoff approximation

The Journal of Chemical Physics ◽

10.1063/1.5108846 ◽

2019 ◽

Vol 151 (5) ◽

pp. 054102 ◽

Author(s):

Paul Hoerner ◽

Mi Kyung Lee ◽

H. Bernhard Schlegel

Keyword(s):

Density Functional Theory ◽

Angular Dependence ◽

Configuration Interaction ◽

Density Functional ◽

Strong Field ◽

Time Dependent ◽

Field Ionization ◽

Functional Theory ◽

Strong Field Ionization

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The time-dependent generalized active space configuration interaction approach to correlated ionization dynamics of diatomic molecules

Journal of Physics Conference Series ◽

10.1088/1742-6596/696/1/012008 ◽

2016 ◽

Vol 696 ◽

pp. 012008

Author(s):

S Bauch ◽

H R Larsson ◽

C Hinz ◽

M Bonitz

Keyword(s):

Configuration Interaction ◽

Diatomic Molecules ◽

Time Dependent ◽

Active Space ◽

Interaction Approach

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