Density Matrix Renormalization Group with Dynamical Correlation via Adiabatic Connection

Beran, Pavel; Matoušek, Mikuláš; Hapka, Michał; Pernal, Katarzyna; Veis, Libor

doi:10.1021/acs.jctc.1c00896

Density Matrix Renormalization Group with Dynamical Correlation via Adiabatic Connection

Journal Article · 11 November 2021 · Journal of Chemical Theory and Computation

DOI:https://doi.org/10.1021/acs.jctc.1c00896· OSTI ID:1981881

Beran, Pavel ^[1]; Matoušek, Mikuláš ^[1]; Hapka, Michał ^[2]; ^[3]; ^[4]

J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i., Dolejškova 3, 18223 Prague 8, Czech Republic; Faculty of Mathematics and Physics, Charles University, 121 16 Prague, Czech Republic
Institute of Physics, Lodz University of Technology, ul. Wolczanska 219, 90-924 Lodz, Poland; Faculty of Chemistry, University of Warsaw, ul. L. Pasteura 1, 02-093 Warsaw, Poland
Institute of Physics, Lodz University of Technology, ul. Wolczanska 219, 90-924 Lodz, Poland
J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i., Dolejškova 3, 18223 Prague 8, Czech Republic

Not provided.

Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC05-76RL01830

OSTI ID:: 1981881

Journal Information:: Journal of Chemical Theory and Computation, Vol. 17, Issue 12; ISSN 1549-9618

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

References (79)

A Chemist's Guide to Density Functional Theory Koch, Wolfram; Holthausen, Max C. https://doi.org/10.1002/3527600043	book	July 2001
On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods Čížek, Jiří The Journal of Chemical Physics, Vol. 45, Issue 11 https://doi.org/10.1063/1.1727484	journal	December 1966
Beyond Kohn–Sham Approximation: Hybrid Multistate Wave Function and Density Functional Theory Gao, Jiali; Grofe, Adam; Ren, Haisheng The Journal of Physical Chemistry Letters, Vol. 7, Issue 24 https://doi.org/10.1021/acs.jpclett.6b02455	journal	November 2016
Multireference Density Functional Theory with Generalized Auxiliary Systems for Ground and Excited States Chen, Zehua; Zhang, Du; Jin, Ye The Journal of Physical Chemistry Letters, Vol. 8, Issue 18 https://doi.org/10.1021/acs.jpclett.7b01864	journal	September 2017
Multiconfiguration Pair-Density Functional Theory Sharma, Prachi; Bao, Jie J.; Truhlar, Donald G. Annual Review of Physical Chemistry, Vol. 72, Issue 1 https://doi.org/10.1146/annurev-physchem-090419-043839	journal	April 2021
Range‐separated multiconfigurational density functional theory methods Pernal, Katarzyna; Hapka, Michał WIREs Computational Molecular Science, Vol. 12, Issue 2 https://doi.org/10.1002/wcms.1566	journal	August 2021
Multireference Nature of Chemistry: The Coupled-Cluster View Lyakh, Dmitry I.; Musiał, Monika; Lotrich, Victor F. Chemical Reviews, Vol. 112, Issue 1 https://doi.org/10.1021/cr2001417	journal	December 2011
A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach Roos, Björn O.; Taylor, Peter R.; Sigbahn, Per E. M. Chemical Physics, Vol. 48, Issue 2 https://doi.org/10.1016/0301-0104(80)80045-0	journal	May 1980
Second‐order perturbation theory with a complete active space self‐consistent field reference function Andersson, Kerstin; Malmqvist, Per‐Åke; Roos, Björn O. The Journal of Chemical Physics, Vol. 96, Issue 2 https://doi.org/10.1063/1.462209	journal	January 1992
Introduction of n -electron valence states for multireference perturbation theory Angeli, C.; Cimiraglia, R.; Evangelisti, S. The Journal of Chemical Physics, Vol. 114, Issue 23 https://doi.org/10.1063/1.1361246	journal	June 2001
The complete active space SCF (CASSCF) method in a Newton–Raphson formulation with application to the HNO molecule Siegbahn, Per E. M.; Almlöf, Jan; Heiberg, Anders The Journal of Chemical Physics, Vol. 74, Issue 4 https://doi.org/10.1063/1.441359	journal	February 1981
Ab initio quantum chemistry using the density matrix renormalization group White, Steven R.; Martin, Richard L. The Journal of Chemical Physics, Vol. 110, Issue 9 https://doi.org/10.1063/1.478295	journal	March 1999
The Density Matrix Renormalization Group in Quantum Chemistry Chan, Garnet Kin-Lic; Sharma, Sandeep Annual Review of Physical Chemistry, Vol. 62, Issue 1 https://doi.org/10.1146/annurev-physchem-032210-103338	journal	May 2011
The density matrix renormalization group for ab initio quantum chemistry Wouters, Sebastian; Van Neck, Dimitri The European Physical Journal D, Vol. 68, Issue 9 https://doi.org/10.1140/epjd/e2014-50500-1	journal	September 2014
Tensor product methods and entanglement optimization for ab initio quantum chemistry Szalay, Szilárd; Pfeffer, Max; Murg, Valentin International Journal of Quantum Chemistry, Vol. 115, Issue 19 https://doi.org/10.1002/qua.24898	journal	May 2015
Density matrix renormalization group for ab initio Calculations and associated dynamic correlation methods: A review of theory and applications Yanai, Takeshi; Kurashige, Yuki; Mizukami, Wataru International Journal of Quantum Chemistry, Vol. 115, Issue 5 https://doi.org/10.1002/qua.24808	journal	October 2014
The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challenges Baiardi, Alberto; Reiher, Markus The Journal of Chemical Physics, Vol. 152, Issue 4 https://doi.org/10.1063/1.5129672	journal	January 2020
Entangled quantum electronic wavefunctions of the Mn4CaO5 cluster in photosystem II Kurashige, Yuki; Chan, Garnet Kin-Lic; Yanai, Takeshi Nature Chemistry, Vol. 5, Issue 8 https://doi.org/10.1038/nchem.1677	journal	June 2013
Low-energy spectrum of iron–sulfur clusters directly from many-particle quantum mechanics Sharma, Sandeep; Sivalingam, Kantharuban; Neese, Frank Nature Chemistry, Vol. 6, Issue 10 https://doi.org/10.1038/nchem.2041	journal	August 2014
The electronic complexity of the ground-state of the FeMo cofactor of nitrogenase as relevant to quantum simulations Li, Zhendong; Li, Junhao; Dattani, Nikesh S. The Journal of Chemical Physics, Vol. 150, Issue 2 https://doi.org/10.1063/1.5063376	journal	January 2019
Electronic landscape of the P-cluster of nitrogenase as revealed through many-electron quantum wavefunction simulations Li, Zhendong; Guo, Sheng; Sun, Qiming Nature Chemistry, Vol. 11, Issue 11 https://doi.org/10.1038/s41557-019-0337-3	journal	September 2019
Massively parallel quantum chemical density matrix renormalization group method Brabec, Jiri; Brandejs, Jan; Kowalski, Karol Journal of Computational Chemistry, Vol. 42, Issue 8 https://doi.org/10.1002/jcc.26476	journal	December 2020
Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: Theory and application to the study of chromium dimer Kurashige, Yuki; Yanai, Takeshi The Journal of Chemical Physics, Vol. 135, Issue 9 https://doi.org/10.1063/1.3629454	journal	September 2011
A projected approximation to strongly contracted N-electron valence perturbation theory for DMRG wavefunctions Roemelt, Michael; Guo, Sheng; Chan, Garnet K. -L. The Journal of Chemical Physics, Vol. 144, Issue 20 https://doi.org/10.1063/1.4950757	journal	May 2016
Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group Freitag, Leon; Knecht, Stefan; Angeli, Celestino Journal of Chemical Theory and Computation, Vol. 13, Issue 2 https://doi.org/10.1021/acs.jctc.6b00778	journal	February 2017
Communication: A flexible multi-reference perturbation theory by minimizing the Hylleraas functional with matrix product states Sharma, Sandeep; Chan, Garnet Kin-Lic The Journal of Chemical Physics, Vol. 141, Issue 11 https://doi.org/10.1063/1.4895977	journal	September 2014
Multireference configuration interaction and perturbation theory without reduced density matrices Mahajan, Ankit; Blunt, Nick S.; Sabzevari, Iliya The Journal of Chemical Physics, Vol. 151, Issue 21 https://doi.org/10.1063/1.5128115	journal	December 2019
Efficient multireference perturbation theory without high-order reduced density matrices Blunt, Nick S.; Mahajan, Ankit; Sharma, Sandeep The Journal of Chemical Physics, Vol. 153, Issue 16 https://doi.org/10.1063/5.0023353	journal	October 2020
A time-dependent formulation of multi-reference perturbation theory Sokolov, Alexander Yu.; Chan, Garnet Kin-Lic The Journal of Chemical Physics, Vol. 144, Issue 6 https://doi.org/10.1063/1.4941606	journal	February 2016
Time-dependent N -electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenes Sokolov, Alexander Yu.; Guo, Sheng; Ronca, Enrico The Journal of Chemical Physics, Vol. 146, Issue 24 https://doi.org/10.1063/1.4986975	journal	June 2017
Extended Second-Order Multireference Algebraic Diagrammatic Construction Theory for Charged Excitations Chatterjee, Koushik; Sokolov, Alexander Yu. Journal of Chemical Theory and Computation, Vol. 16, Issue 10 https://doi.org/10.1021/acs.jctc.0c00778	journal	September 2020
Density matrix renormalization group with efficient dynamical electron correlation through range separation Hedegård, Erik Donovan; Knecht, Stefan; Kielberg, Jesper Skau The Journal of Chemical Physics, Vol. 142, Issue 22 https://doi.org/10.1063/1.4922295	journal	June 2015
Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions Veis, Libor; Antalík, Andrej; Brabec, Jiří The Journal of Physical Chemistry Letters, Vol. 7, Issue 20 https://doi.org/10.1021/acs.jpclett.6b01908	journal	October 2016
Electronic Excited States from the Adiabatic-Connection Formalism with Complete Active Space Wave Functions Pastorczak, Ewa; Pernal, Katarzyna The Journal of Physical Chemistry Letters, Vol. 9, Issue 18 https://doi.org/10.1021/acs.jpclett.8b02391	journal	September 2018
Correlation Energy from the Adiabatic Connection Formalism for Complete Active Space Wave Functions Pastorczak, Ewa; Pernal, Katarzyna Journal of Chemical Theory and Computation, Vol. 14, Issue 7 https://doi.org/10.1021/acs.jctc.8b00213	journal	May 2018
Reduced Density Matrix-Driven Complete Active Apace Self-Consistent Field Corrected for Dynamic Correlation from the Adiabatic Connection Maradzike, Elvis; Hapka, Michał; Pernal, Katarzyna Journal of Chemical Theory and Computation, Vol. 16, Issue 7 https://doi.org/10.1021/acs.jctc.0c00324	journal	June 2020
Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Studies on Mononuclear First-Row Transition-Metal Systems Vancoillie, Steven; Zhao, Hailiang; Tran, Van Tan Journal of Chemical Theory and Computation, Vol. 7, Issue 12 https://doi.org/10.1021/ct200597h	journal	October 2011
Cumulant Approximated Second-Order Perturbation Theory Based on the Density Matrix Renormalization Group for Transition Metal Complexes: A Benchmark Study Phung, Quan Manh; Wouters, Sebastian; Pierloot, Kristine Journal of Chemical Theory and Computation, Vol. 12, Issue 9 https://doi.org/10.1021/acs.jctc.6b00714	journal	August 2016
Multiconfiguration Pair-Density Functional Theory for Iron Porphyrin with CAS, RAS, and DMRG Active Spaces Zhou, Chen; Gagliardi, Laura; Truhlar, Donald G. The Journal of Physical Chemistry A, Vol. 123, Issue 15 https://doi.org/10.1021/acs.jpca.8b12479	journal	February 2019
Capturing the Dynamic Correlation for Arbitrary Spin-Symmetry CASSCF Reference with Adiabatic Connection Approaches: Insights into the Electronic Structure of the Tetramethyleneethane Diradical Pastorczak, Ewa; Hapka, Michał; Veis, Libor The Journal of Physical Chemistry Letters, Vol. 10, Issue 16 https://doi.org/10.1021/acs.jpclett.9b01582	journal	July 2019
The density-matrix renormalization group in the age of matrix product states Schollwöck, Ulrich Annals of Physics, Vol. 326, Issue 1 https://doi.org/10.1016/j.aop.2010.09.012	journal	January 2011
Quantum-information analysis of electronic states of different molecular structures Barcza, G.; Legeza, Ö.; Marti, K. H. Physical Review A, Vol. 83, Issue 1 https://doi.org/10.1103/physreva.83.012508	journal	January 2011
Investigation of metal–insulator-like transition through the ab initio density matrix renormalization group approach Fertitta, E.; Paulus, B.; Barcza, G. Physical Review B, Vol. 90, Issue 24 https://doi.org/10.1103/physrevb.90.245129	journal	December 2014
Fermionic Orbital Optimization in Tensor Network States Krumnow, C.; Veis, L.; Legeza, Ö. Physical Review Letters, Vol. 117, Issue 21 https://doi.org/10.1103/PhysRevLett.117.210402	journal	November 2016
The ab-initio density matrix renormalization group in practice Olivares-Amaya, Roberto; Hu, Weifeng; Nakatani, Naoki The Journal of Chemical Physics, Vol. 142, Issue 3 https://doi.org/10.1063/1.4905329	journal	January 2015
The density matrix renormalization group self-consistent field method: Orbital optimization with the density matrix renormalization group method in the active space Zgid, Dominika; Nooijen, Marcel The Journal of Chemical Physics, Vol. 128, Issue 14 https://doi.org/10.1063/1.2883981	journal	April 2008
Orbital optimization in the density matrix renormalization group, with applications to polyenes and β-carotene Ghosh, Debashree; Hachmann, Johannes; Yanai, Takeshi The Journal of Chemical Physics, Vol. 128, Issue 14 https://doi.org/10.1063/1.2883976	journal	April 2008
Obtaining the two-body density matrix in the density matrix renormalization group method Zgid, Dominika; Nooijen, Marcel The Journal of Chemical Physics, Vol. 128, Issue 14 https://doi.org/10.1063/1.2883980	journal	April 2008
Excitation energies from extended random phase approximation employed with approximate one- and two-electron reduced density matrices Chatterjee, Koushik; Pernal, Katarzyna The Journal of Chemical Physics, Vol. 137, Issue 20 https://doi.org/10.1063/1.4766934	journal	November 2012
Exact and approximate adiabatic connection formulae for the correlation energy in multireference ground and excited states Pernal, Katarzyna The Journal of Chemical Physics, Vol. 149, Issue 20 https://doi.org/10.1063/1.5048988	journal	November 2018
Excited states in the adiabatic connection fluctuation-dissipation theory: Recovering missing correlation energy from the negative part of the density response spectrum Drwal, Daria; Pastorczak, Ewa; Pernal, Katarzyna The Journal of Chemical Physics, Vol. 154, Issue 16 https://doi.org/10.1063/5.0046852	journal	April 2021
Intergeminal Correction to the Antisymmetrized Product of Strongly Orthogonal Geminals Derived from the Extended Random Phase Approximation Pernal, Katarzyna Journal of Chemical Theory and Computation, Vol. 10, Issue 10 https://doi.org/10.1021/ct500478t	journal	September 2014
Long-range-corrected multiconfiguration density functional with the on-top pair density Hapka, Michał; Pastorczak, Ewa; Krzemińska, Agnieszka The Journal of Chemical Physics, Vol. 152, Issue 9 https://doi.org/10.1063/1.5138980	journal	March 2020
Controlling the accuracy of the density-matrix renormalization-group method: The dynamical block state selection approach Legeza, Ö.; Röder, J.; Hess, B. A. Physical Review B, Vol. 67, Issue 12 https://doi.org/10.1103/physrevb.67.125114	journal	March 2003
Ground state of the Fe( ii )-porphyrin model system corresponds to quintet: a DFT and DMRG-based tailored CC study Antalík, Andrej; Nachtigallová, Dana; Lo, Rabindranath Physical Chemistry Chemical Physics, Vol. 22, Issue 30 https://doi.org/10.1039/d0cp03086d	journal	January 2020
The ORCA program system: The ORCA program system Neese, Frank Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 2, Issue 1 https://doi.org/10.1002/wcms.81	journal	June 2011
Externally-Contracted Multireference Configuration Interaction Method Using a DMRG Reference Wave Function Luo, Zhen; Ma, Yingjin; Wang, Xicun Journal of Chemical Theory and Computation, Vol. 14, Issue 9 https://doi.org/10.1021/acs.jctc.8b00613	journal	July 2018
Focal Point Analysis of the Singlet–Triplet Energy Gap of Octacene and Larger Acenes Hajgató, Balázs; Huzak, Matija; Deleuze, Michael S. The Journal of Physical Chemistry A, Vol. 115, Issue 33 https://doi.org/10.1021/jp2043043	journal	August 2011
Radiationless Transitions in Polyatomic Molecules. II. Triplet‐Ground‐State Transitions in Aromatic Hydrocarbons Siebrand, W. The Journal of Chemical Physics, Vol. 47, Issue 7 https://doi.org/10.1063/1.1703324	journal	October 1967
Quenching of excited singlet and triplet states of aromatic hydrocarbons by oxygen and nitric oxide Birks, J. B. Journal of Luminescence, Vol. 1-2 https://doi.org/10.1016/0022-2313(70)90031-1	journal	January 1970
Heterofission in pentacene-doped tetracene single crystals Burgos, J.; Pope, M.; Swenberg, Ch. E. Physica Status Solidi (b), Vol. 83, Issue 1 https://doi.org/10.1002/pssb.2220830127	journal	September 1977
Electronic spectra of hexacene in solution (ground state. Triplet state. Dication and dianion) Angliker, Herbert; Rommel, Erika; Wirz, Jakob Chemical Physics Letters, Vol. 87, Issue 2 https://doi.org/10.1016/0009-2614(82)83589-6	journal	March 1982
A Combined Selected Configuration Interaction and Many-Body Treatment of Static and Dynamical Correlation in Oligoacenes Schriber, Jeffrey B.; Hannon, Kevin P.; Li, Chenyang Journal of Chemical Theory and Computation, Vol. 14, Issue 12 https://doi.org/10.1021/acs.jctc.8b00877	journal	November 2018
The radical character of the acenes: A density matrix renormalization group study Hachmann, Johannes; Dorando, Jonathan J.; Avilés, Michael The Journal of Chemical Physics, Vol. 127, Issue 13 https://doi.org/10.1063/1.2768362	journal	October 2007
Role of Valence and Semicore Electron Correlation on Spin Gaps in Fe(II)-Porphyrins Li Manni, Giovanni; Kats, Daniel; Tew, David P. Journal of Chemical Theory and Computation, Vol. 15, Issue 3 https://doi.org/10.1021/acs.jctc.8b01277	journal	January 2019
Understanding the Mechanism Stabilizing Intermediate Spin States in Fe(II)-Porphyrin Li Manni, Giovanni; Alavi, Ali The Journal of Physical Chemistry A, Vol. 122, Issue 22 https://doi.org/10.1021/acs.jpca.7b12710	journal	March 2018
Active Space Dependence in Multiconfiguration Pair-Density Functional Theory Sharma, Prachi; Truhlar, Donald G.; Gagliardi, Laura Journal of Chemical Theory and Computation, Vol. 14, Issue 2 https://doi.org/10.1021/acs.jctc.7b01052	journal	January 2018
Cheap and Near Exact CASSCF with Large Active Spaces Smith, James E. T.; Mussard, Bastien; Holmes, Adam A. Journal of Chemical Theory and Computation, Vol. 13, Issue 11 https://doi.org/10.1021/acs.jctc.7b00900	journal	October 2017
CASSCF with Extremely Large Active Spaces Using the Adaptive Sampling Configuration Interaction Method Levine, Daniel S.; Hait, Diptarka; Tubman, Norm M. Journal of Chemical Theory and Computation, Vol. 16, Issue 4 https://doi.org/10.1021/acs.jctc.9b01255	journal	February 2020
Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C ₃₆ Fullerene and an Iron Porphyrin Model Complex Lee, Joonho; Malone, Fionn D.; Morales, Miguel A. Journal of Chemical Theory and Computation https://doi.org/10.1021/acs.jctc.0c00055	journal	April 2020
Mössbauer effect study of the magnetic properties of the intermediate‐spin complex perchlorato ( m e s o ‐tetraphenylporphinato ) iron (III) Spartalian, K.; Lang, G.; Reed, Christopher A. The Journal of Chemical Physics, Vol. 71, Issue 4 https://doi.org/10.1063/1.438534	journal	August 1979
Electronic Ground-State and Orbital Ordering of Iron Phthalocyanine on H/Si(111) Unraveled by Spatially Resolved Tunneling Spectroscopy Gruyters, M.; Pingel, T.; Gopakumar, T. G. The Journal of Physical Chemistry C, Vol. 116, Issue 39 https://doi.org/10.1021/jp3058433	journal	September 2012
The resonance Raman spectra of intermediate-spin ferrous porphyrin Kitagawa, Teizo; Teraoka, Junji Chemical Physics Letters, Vol. 63, Issue 3 https://doi.org/10.1016/0009-2614(79)80685-5	journal	June 1979
Synthesis, stereochemistry, and structure-related properties of .alpha.,.beta.,.gamma.,.delta.-tetraphenylporphinatoiron(II) Collman, James P.; Hoard, J. L.; Kim, Nancy Journal of the American Chemical Society, Vol. 97, Issue 10 https://doi.org/10.1021/ja00843a015	journal	May 1975
Proton magnetic resonance characterization of the intermediate ( S =1) spin state of ferrous porphyrins Mispelter, J.; Momenteau, M.; Lhoste, J. M. The Journal of Chemical Physics, Vol. 72, Issue 2 https://doi.org/10.1063/1.439266	journal	January 1980
Electronic ground state of iron in octamethyltetrabenzporphyriniron(II), a new square planar ferrous porphyrin Sams, John R.; Tsin, Tsang Bik Chemical Physics Letters, Vol. 25, Issue 4 https://doi.org/10.1016/0009-2614(74)85378-9	journal	April 1974
An Isolated Molecule of Iron(II) Phthalocyanin Exhibits Quintet Ground-State: A Nexus between Theory and Experiment Nachtigallová, Dana; Antalík, Andrej; Lo, Rabindranath Chemistry - A European Journal, Vol. 24, Issue 51 https://doi.org/10.1002/chem.201803380	journal	August 2018
Resolution of Low-Energy States in Spin-Exchange Transition-Metal Clusters: Case Study of Singlet States in [Fe(III) ₄ S ₄ ] Cubanes Li Manni, Giovanni; Dobrautz, Werner; Bogdanov, Nikolay A. The Journal of Physical Chemistry A, Vol. 125, Issue 22 https://doi.org/10.1021/acs.jpca.1c00397	journal	May 2021
Full Correlation in a Multiconfigurational Study of Bimetallic Clusters: Restricted Active Space Pair-Density Functional Theory Study of [2Fe–2S] Systems Presti, Davide; Stoneburner, Samuel J.; Truhlar, Donald G. The Journal of Physical Chemistry C, Vol. 123, Issue 18 https://doi.org/10.1021/acs.jpcc.9b00222	journal	April 2019

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