Equation for the direct determination of the density matrix: Time-dependent density equation and perturbation theory

Hiroshi Nakatsuji

doi:10.1007/s002140050478

Equation for the direct determination of the density matrix: Time-dependent density equation and perturbation theory

Theoretical Chemistry Accounts ◽

10.1007/s002140050478 ◽

1999 ◽

Vol 102 (1-6) ◽

pp. 97-104 ◽

Cited By ~ 11

Author(s):

Hiroshi Nakatsuji

Keyword(s):

Perturbation Theory ◽

Density Matrix ◽

Direct Determination ◽

Time Dependent ◽

Density Equation ◽

Dependent Density

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Direct Determination of the Quantum-Mechanical Density Matrix Using the Density Equation

Physical Review Letters ◽

10.1103/physrevlett.76.1039 ◽

1996 ◽

Vol 76 (7) ◽

pp. 1039-1042 ◽

Cited By ~ 220

Author(s):

Hiroshi Nakatsuji ◽

Koji Yasuda

Keyword(s):

Density Matrix ◽

Direct Determination ◽

Quantum Mechanical ◽

Density Equation

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Direct determination of exciton couplings from subsystem time-dependent density-functional theory within the Tamm–Dancoff approximation

The Journal of Chemical Physics ◽

10.1063/1.4774117 ◽

2013 ◽

Vol 138 (3) ◽

pp. 034104 ◽

Cited By ~ 28

Author(s):

Carolin König ◽

Nicolas Schlüter ◽

Johannes Neugebauer

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Direct Determination ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

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Direct determination of the density matrix using the density equation: potential energy curves of HF, CH4, BH3, NH3, and H2O

Chemical Physics Letters ◽

10.1016/s0009-2614(99)00385-1 ◽

1999 ◽

Vol 305 (5-6) ◽

pp. 483-488 ◽

Cited By ~ 27

Author(s):

M Ehara ◽

M Nakata ◽

H Kou ◽

K Yasuda ◽

H Nakatsuji

Keyword(s):

Potential Energy ◽

Density Matrix ◽

Direct Determination ◽

Potential Energy Curves ◽

Density Equation

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Direct determination of the quantum-mechanical density matrix using the density equation. II.

Physical Review A ◽

10.1103/physreva.56.2648 ◽

1997 ◽

Vol 56 (4) ◽

pp. 2648-2657 ◽

Cited By ~ 134

Author(s):

Koji Yasuda ◽

Hiroshi Nakatsuji

Keyword(s):

Density Matrix ◽

Direct Determination ◽

Quantum Mechanical ◽

Density Equation

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Direct determination of second-order density matrix using density equation: Open-shell system and excited state

The Journal of Chemical Physics ◽

10.1063/1.481531 ◽

2000 ◽

Vol 112 (20) ◽

pp. 8772-8778 ◽

Cited By ~ 28

Author(s):

Maho Nakata ◽

Masahiro Ehara ◽

Koji Yasuda ◽

Hiroshi Nakatsuji

Keyword(s):

Excited State ◽

Density Matrix ◽

Direct Determination ◽

Open Shell ◽

Second Order ◽

Shell System ◽

Density Equation ◽

Open Shell System

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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 ◽

Cited By ~ 9

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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Hydrogen transfer in vibrationally relaxing benzoic acid dimers: Time‐dependent density matrix dynamics and infrared spectra

The Journal of Chemical Physics ◽

10.1063/1.471110 ◽

1996 ◽

Vol 104 (8) ◽

pp. 2869-2882 ◽

Cited By ~ 34

Author(s):

Christoph Scheurer ◽

Peter Saalfrank

Keyword(s):

Benzoic Acid ◽

Density Matrix ◽

Infrared Spectra ◽

Hydrogen Transfer ◽

Time Dependent ◽

Dependent Density ◽

Matrix Dynamics

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Resonance Raman spectra of uracil based on Kramers–Kronig relations using time-dependent density functional calculations and multireference perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.1697371 ◽

2004 ◽

Vol 120 (24) ◽

pp. 11564-11577 ◽

Cited By ~ 62

Author(s):

Johannes Neugebauer ◽

Bernd A. Hess

Keyword(s):

Perturbation Theory ◽

Raman Spectra ◽

Density Functional Calculations ◽

Density Functional ◽

Resonance Raman ◽

Time Dependent ◽

Multireference Perturbation Theory ◽

Resonance Raman Spectra ◽

Dependent Density

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QUADRUPOLE RESONANCES IN UNSTABLE OXYGEN ISOTOPES IN TIME-DEPENDENT DENSITY-MATRIX FORMALISM

Frontiers of Collective Motions ◽

10.1142/9789812703972_0029 ◽

2003 ◽

Author(s):

M. TOHYAMA ◽

A. S. UMAR

Keyword(s):

Density Matrix ◽

Oxygen Isotopes ◽

Time Dependent ◽

Matrix Formalism ◽

Density Matrix Formalism ◽

Dependent Density

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The Time-Dependent Density Matrix Renormalization Group

Springer Series in Solid-State Sciences - Strongly Correlated Systems ◽

10.1007/978-3-642-35106-8_5 ◽

2013 ◽

pp. 131-152 ◽

Cited By ~ 1

Author(s):

Adrian E. Feiguin

Keyword(s):

Renormalization Group ◽

Density Matrix ◽

Time Dependent ◽

Density Matrix Renormalization Group ◽

Density Matrix Renormalization ◽

Dependent Density

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