Density matrix renormalization group (DMRG) method as a common tool for large active-space CASSCF/CASPT2 calculations

Naoki Nakatani; Sheng Guo

doi:10.1063/1.4976644

Density matrix renormalization group (DMRG) method as a common tool for large active-space CASSCF/CASPT2 calculations

The Journal of Chemical Physics ◽

10.1063/1.4976644 ◽

2017 ◽

Vol 146 (9) ◽

pp. 094102 ◽

Cited By ~ 33

Author(s):

Naoki Nakatani ◽

Sheng Guo

Keyword(s):

Renormalization Group ◽

Density Matrix ◽

Density Matrix Renormalization Group ◽

Active Space ◽

Density Matrix Renormalization ◽

Caspt2 Calculations

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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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Electronic structures of NbGe n −/0/+ ( n = 1–3) clusters from multiconfigurational CASPT2 and density matrix renormalization group ‐CASPT2 calculations

Journal of Computational Chemistry ◽

10.1002/jcc.26420 ◽

2020 ◽

Vol 41 (31) ◽

pp. 2641-2652

Author(s):

Van Tan Tran ◽

Quoc Tri Tran

Keyword(s):

Renormalization Group ◽

Density Matrix ◽

Electronic Structures ◽

Density Matrix Renormalization Group ◽

Density Matrix Renormalization ◽

Caspt2 Calculations

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Communication: Active space decomposition with multiple sites: Density matrix renormalization group algorithm

The Journal of Chemical Physics ◽

10.1063/1.4902991 ◽

2014 ◽

Vol 141 (21) ◽

pp. 211102 ◽

Cited By ~ 20

Author(s):

Shane M. Parker ◽

Toru Shiozaki

Keyword(s):

Renormalization Group ◽

Density Matrix ◽

Density Matrix Renormalization Group ◽

Active Space ◽

Space Decomposition ◽

Density Matrix Renormalization

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Electronic States of CoSin–/0/+ (n = 1–3) Clusters from Density Matrix Renormalization Group-CASPT2 Calculations

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c04469 ◽

2021 ◽

Author(s):

Van Tan Tran

Keyword(s):

Renormalization Group ◽

Density Matrix ◽

Electronic States ◽

Density Matrix Renormalization Group ◽

Density Matrix Renormalization ◽

Caspt2 Calculations

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Density-matrix renormalization group algorithm with multi-level active space

The Journal of Chemical Physics ◽

10.1063/1.4926833 ◽

2015 ◽

Vol 143 (3) ◽

pp. 034105 ◽

Cited By ~ 8

Author(s):

Yingjin Ma ◽

Jing Wen ◽

Haibo Ma

Keyword(s):

Renormalization Group ◽

Density Matrix ◽

Density Matrix Renormalization Group ◽

Active Space ◽

Density Matrix Renormalization ◽

Multi Level

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Assessment of various natural orbitals as the basis of large active space density-matrix renormalization group calculations

The Journal of Chemical Physics ◽

10.1063/1.4809682 ◽

2013 ◽

Vol 138 (22) ◽

pp. 224105 ◽

Cited By ~ 22

Author(s):

Yingjin Ma ◽

Haibo Ma

Keyword(s):

Renormalization Group ◽

Density Matrix ◽

Density Matrix Renormalization Group ◽

Natural Orbitals ◽

Space Density ◽

Active Space ◽

Density Matrix Renormalization

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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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Multireference correlation in long molecules with the quadratic scaling density matrix renormalization group

The Journal of Chemical Physics ◽

10.1063/1.2345196 ◽

2006 ◽

Vol 125 (14) ◽

pp. 144101 ◽

Cited By ~ 137

Author(s):

Johannes Hachmann ◽

Wim Cardoen ◽

Garnet Kin-Lic Chan

Keyword(s):

Renormalization Group ◽

Density Matrix ◽

Density Matrix Renormalization Group ◽

Density Matrix Renormalization

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Ground-state properties of the symmetric single-impurity Anderson model on a ring from density-matrix renormalization group, Hartree-Fock, and Gutzwiller theory

Physical Review B ◽

10.1103/physrevb.99.165130 ◽

2019 ◽

Vol 99 (16) ◽

Cited By ~ 2

Author(s):

Gergely Barcza ◽

Florian Gebhard ◽

Thorben Linneweber ◽

Örs Legeza

Keyword(s):

Renormalization Group ◽

Density Matrix ◽

Anderson Model ◽

Ground State ◽

Density Matrix Renormalization Group ◽

Hartree Fock ◽

Density Matrix Renormalization ◽

Single Impurity ◽

Ground State Properties

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Spintronics Meets Density Matrix Renormalization Group: Quantum Spin-Torque-Driven Nonclassical Magnetization Reversal and Dynamical Buildup of Long-Range Entanglement

Physical Review X ◽

10.1103/physrevx.11.021062 ◽

2021 ◽

Vol 11 (2) ◽

Author(s):

Marko D. Petrović ◽

Priyanka Mondal ◽

Adrian E. Feiguin ◽

Petr Plecháč ◽

Branislav K. Nikolić

Keyword(s):

Renormalization Group ◽

Density Matrix ◽

Long Range ◽

Magnetization Reversal ◽

Quantum Spin ◽

Spin Torque ◽

Density Matrix Renormalization Group ◽

Density Matrix Renormalization

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