Accurate and efficient calculation of excitation energies with the active-space particle-particle random phase approximation

Du Zhang; Weitao Yang

doi:10.1063/1.4964501

Accurate and efficient calculation of excitation energies with the active-space particle-particle random phase approximation

The Journal of Chemical Physics ◽

10.1063/1.4964501 ◽

2016 ◽

Vol 145 (14) ◽

pp. 144105 ◽

Cited By ~ 4

Author(s):

Du Zhang ◽

Weitao Yang

Keyword(s):

Random Phase Approximation ◽

Random Phase ◽

Phase Approximation ◽

Excitation Energies ◽

Active Space ◽

Efficient Calculation

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Excitation energies from particle-particle random phase approximation: Davidson algorithm and benchmark studies

The Journal of Chemical Physics ◽

10.1063/1.4895792 ◽

2014 ◽

Vol 141 (12) ◽

pp. 124104 ◽

Cited By ~ 26

Author(s):

Yang Yang ◽

Degao Peng ◽

Jianfeng Lu ◽

Weitao Yang

Keyword(s):

Random Phase Approximation ◽

Random Phase ◽

Phase Approximation ◽

Excitation Energies ◽

Davidson Algorithm

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Efficient calculation for the quasiparticle random-phase approximation matrix

Physical Review C ◽

10.1103/physrevc.87.014331 ◽

2013 ◽

Vol 87 (1) ◽

Cited By ~ 25

Author(s):

Paolo Avogadro ◽

Takashi Nakatsukasa

Keyword(s):

Random Phase Approximation ◽

Random Phase ◽

Phase Approximation ◽

Quasiparticle Random Phase Approximation ◽

Efficient Calculation

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Molecular Excitation Energies from Time-Dependent Density Functional Theory Employing Random-Phase Approximation Hessians with Exact Exchange

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.5b00024 ◽

2015 ◽

Vol 11 (4) ◽

pp. 1607-1620 ◽

Cited By ~ 7

Author(s):

Andreas Heßelmann

Keyword(s):

Random Phase Approximation ◽

Density Functional ◽

Random Phase ◽

Time Dependent ◽

Phase Approximation ◽

Excitation Energies ◽

Functional Theory ◽

Molecular Excitation ◽

Exact Exchange ◽

Dependent Density

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Erratum: “How accurate is the strongly orthogonal geminal theory in predicting excitation energies? Comparison of the extended random phase approximation and the linear response theory approaches” [J. Chem. Phys. 140, 014101 (2014)]

The Journal of Chemical Physics ◽

10.1063/1.4876720 ◽

2014 ◽

Vol 140 (18) ◽

pp. 189901 ◽

Cited By ~ 4

Author(s):

Katarzyna Pernal ◽

Koushik Chatterjee ◽

Piotr H. Kowalski

Keyword(s):

Linear Response ◽

Random Phase Approximation ◽

Random Phase ◽

Linear Response Theory ◽

Chem Phys ◽

Phase Approximation ◽

Response Theory ◽

Excitation Energies

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Application of the configuration-interaction method and the random phase approximation to theAb Initio calculation of electronic excitation energies of H2o

International Journal of Quantum Chemistry ◽

10.1002/qua.560070416 ◽

1973 ◽

Vol 7 (4) ◽

pp. 807-817 ◽

Cited By ~ 20

Author(s):

Donald G. Truhlar

Keyword(s):

Configuration Interaction ◽

Random Phase Approximation ◽

Electronic Excitation ◽

Random Phase ◽

Phase Approximation ◽

Interaction Method ◽

Configuration Interaction Method ◽

Excitation Energies

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Extended random phase approximation method for atomic excitation energies from correlated and variationally optimized second-order density matrices

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2012.09.036 ◽

2013 ◽

Vol 1003 ◽

pp. 50-54 ◽

Cited By ~ 11

Author(s):

Helen van Aggelen ◽

Brecht Verstichel ◽

Guillaume Acke ◽

Matthias Degroote ◽

Patrick Bultinck ◽

...

Keyword(s):

Approximation Method ◽

Random Phase Approximation ◽

Random Phase ◽

Second Order ◽

Phase Approximation ◽

Density Matrices ◽

Excitation Energies ◽

Atomic Excitation

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Excitation energies from particle-particle random phase approximation with accurate optimized effective potentials

The Journal of Chemical Physics ◽

10.1063/1.4994827 ◽

2017 ◽

Vol 147 (13) ◽

pp. 134105 ◽

Cited By ~ 3

Author(s):

Ye Jin ◽

Yang Yang ◽

Du Zhang ◽

Degao Peng ◽

Weitao Yang

Keyword(s):

Random Phase Approximation ◽

Random Phase ◽

Phase Approximation ◽

Excitation Energies ◽

Effective Potentials

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How accurate is the strongly orthogonal geminal theory in predicting excitation energies? Comparison of the extended random phase approximation and the linear response theory approaches

The Journal of Chemical Physics ◽

10.1063/1.4855275 ◽

2014 ◽

Vol 140 (1) ◽

pp. 014101 ◽

Cited By ~ 22

Author(s):

Katarzyna Pernal ◽

Koushik Chatterjee ◽

Piotr H. Kowalski

Keyword(s):

Linear Response ◽

Random Phase Approximation ◽

Random Phase ◽

Linear Response Theory ◽

Phase Approximation ◽

Response Theory ◽

Excitation Energies

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Excitation energies from extended random phase approximation employed with approximate one- and two-electron reduced density matrices

The Journal of Chemical Physics ◽

10.1063/1.4766934 ◽

2012 ◽

Vol 137 (20) ◽

pp. 204109 ◽

Cited By ~ 44

Author(s):

Koushik Chatterjee ◽

Katarzyna Pernal

Keyword(s):

Random Phase Approximation ◽

Random Phase ◽

Phase Approximation ◽

Density Matrices ◽

Excitation Energies ◽

Reduced Density Matrices ◽

Reduced Density

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A second-order doubles correction to excitation energies in the random-phase approximation

Chemical Physics Letters ◽

10.1016/s0009-2614(97)01285-2 ◽

1998 ◽

Vol 284 (1-2) ◽

pp. 47-55 ◽

Cited By ~ 28

Author(s):

Ove Christiansen ◽

Keld L. Bak ◽

Henrik Koch ◽

Stephan P.A. Sauer

Keyword(s):

Random Phase Approximation ◽

Random Phase ◽

Second Order ◽

Phase Approximation ◽

Excitation Energies

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