Low-Lying Electromeric States in Chloro-Ligated Iron(IV)-Oxo Porphyrin as a Model for Compound I, Studied with Second-Order Perturbation Theory Based on Density Matrix Renormalization Group

Quan Manh Phung; Kristine Pierloot

doi:10.1021/acs.jctc.9b00166

Low-Lying Electromeric States in Chloro-Ligated Iron(IV)-Oxo Porphyrin as a Model for Compound I, Studied with Second-Order Perturbation Theory Based on Density Matrix Renormalization Group

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00166 ◽

2019 ◽

Vol 15 (5) ◽

pp. 3033-3043 ◽

Cited By ~ 11

Author(s):

Quan Manh Phung ◽

Kristine Pierloot

Keyword(s):

Perturbation Theory ◽

Renormalization Group ◽

Density Matrix ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Density Matrix Renormalization Group ◽

Compound I ◽

Density Matrix Renormalization ◽

Second Order Perturbation Theory

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Multistate Complete-Active-Space Second-Order Perturbation Theory Based on Density Matrix Renormalization Group Reference States

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.7b00735 ◽

2017 ◽

Vol 13 (10) ◽

pp. 4829-4840 ◽

Cited By ~ 31

Author(s):

Takeshi Yanai ◽

Masaaki Saitow ◽

Xiao-Gen Xiong ◽

Jakub Chalupský ◽

Yuki Kurashige ◽

...

Keyword(s):

Perturbation Theory ◽

Renormalization Group ◽

Density Matrix ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Density Matrix Renormalization Group ◽

Complete Active Space ◽

Active Space ◽

Density Matrix Renormalization ◽

Second Order Perturbation Theory

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Complete active space second-order perturbation theory with cumulant approximation for extended active-space wavefunction from density matrix renormalization group

The Journal of Chemical Physics ◽

10.1063/1.4900878 ◽

2014 ◽

Vol 141 (17) ◽

pp. 174111 ◽

Cited By ~ 76

Author(s):

Yuki Kurashige ◽

Jakub Chalupský ◽

Tran Nguyen Lan ◽

Takeshi Yanai

Keyword(s):

Perturbation Theory ◽

Renormalization Group ◽

Density Matrix ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Density Matrix Renormalization Group ◽

Complete Active Space ◽

Active Space ◽

Density Matrix Renormalization ◽

Second Order Perturbation Theory

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Cumulant Approximated Second-Order Perturbation Theory Based on the Density Matrix Renormalization Group for Transition Metal Complexes: A Benchmark Study

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.6b00714 ◽

2016 ◽

Vol 12 (9) ◽

pp. 4352-4361 ◽

Cited By ~ 58

Author(s):

Quan Manh Phung ◽

Sebastian Wouters ◽

Kristine Pierloot

Keyword(s):

Perturbation Theory ◽

Renormalization Group ◽

Transition Metal ◽

Density Matrix ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Density Matrix Renormalization Group ◽

Benchmark Study ◽

Density Matrix Renormalization ◽

Second Order Perturbation Theory

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Analytic Energy Gradients for the Driven Similarity Renormalization Group Multireference Second-Order Perturbation Theory

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.1c00980 ◽

2021 ◽

Author(s):

Shuhe Wang ◽

Chenyang Li ◽

Francesco A. Evangelista

Keyword(s):

Perturbation Theory ◽

Renormalization Group ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Similarity Renormalization Group ◽

Second Order Perturbation Theory

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Analytic gradients for the single-reference driven similarity renormalization group second-order perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.5100175 ◽

2019 ◽

Vol 151 (4) ◽

pp. 044118

Author(s):

Shuhe Wang ◽

Chenyang Li ◽

Francesco A. Evangelista

Keyword(s):

Perturbation Theory ◽

Renormalization Group ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Similarity Renormalization Group ◽

Second Order Perturbation Theory

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Statistics of Smoothed Cosmic Fields in Perturbation Theory. I. Formulation and Useful Formulae in Second‐Order Perturbation Theory

The Astrophysical Journal ◽

10.1086/345521 ◽

2003 ◽

Vol 584 (1) ◽

pp. 1-33 ◽

Cited By ~ 93

Author(s):

Takahiko Matsubara

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Second Order Perturbation Theory

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Second-Order Perturbation Theory

Nuclear Science and Engineering ◽

10.13182/nse79-a19658 ◽

1979 ◽

Vol 70 (2) ◽

pp. 215-215

Author(s):

K. W. Burn

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Second Order Perturbation Theory

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Second-order perturbation theory for scattering from heterogeneous rough surfaces

Journal of the Optical Society of America A ◽

10.1364/josaa.21.001251 ◽

2004 ◽

Vol 21 (7) ◽

pp. 1251 ◽

Cited By ~ 14

Author(s):

Charles-Antoine Guérin ◽

Anne Sentenac

Keyword(s):

Perturbation Theory ◽

Rough Surfaces ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Second Order Perturbation Theory

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Effect of the nonlocal exchange on the performance of the orbital-dependent correlation functionals from second-order perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.2978171 ◽

2008 ◽

Vol 129 (12) ◽

pp. 124109 ◽

Cited By ~ 15

Author(s):

Igor V. Schweigert ◽

Rodney J. Bartlett

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Dependent Correlation ◽

Second Order Perturbation Theory

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Second Order Perturbation Theory for a Superconducting Double Quantum Dot

Proceedings of the International Conference on Strongly Correlated Electron Systems (SCES2019) ◽

10.7566/jpscp.30.011002 ◽

2020 ◽

Cited By ~ 1

Author(s):

Vladislav Pokorný ◽

Martin Žonda ◽

Georgios Loukeris ◽

Tomáš Novotný

Keyword(s):

Perturbation Theory ◽

Quantum Dot ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Double Quantum ◽

Double Quantum Dot ◽

Second Order Perturbation Theory

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