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Communication: four-component density matrix renormalization group

The Journal of chemical physics, 2014-01, Vol.140 (4), p.041101-041101

2014

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Orbital entanglement and correlation from pCCD-tailored coupled cluster wave functions

The Journal of chemical physics, 2021-02, Vol.154 (8), p.084111-084111

2021

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Assessing the Accuracy of Tailored Coupled Cluster Methods Corrected by Electronic Wave Functions of Polynomial Cost

Journal of chemical theory and computation, 2022-01, Vol.18 (1), p.96-117

2022

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Entanglement Measures for Single- and Multireference Correlation Effects

The journal of physical chemistry letters, 2012-11, Vol.3 (21), p.3129-3135

2012

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Orbital Entanglement in Bond-Formation Processes

Journal of chemical theory and computation, 2013-07, Vol.9 (7), p.2959-2973

2013

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Tensor product methods and entanglement optimization for ab initio quantum chemistry

International journal of quantum chemistry, 2015-10, Vol.115 (19), p.1342-1391

2015

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Compressing multireference character of wave functions via fermionic mode optimization

Journal of mathematical chemistry, 2023-02, Vol.61 (2), p.362-375

2023

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Quantum information-based analysis of electron-deficient bonds

The Journal of chemical physics, 2019-05, Vol.150 (20), p.204117-204117

2019

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Toward DMRG-tailored coupled cluster method in the 4c-relativistic domain

The Journal of chemical physics, 2020-05, Vol.152 (17), p.174107-174107

2020

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Excitation spectra of fully correlated donor-acceptor complexes by density matrix renormalisation group

Molecular physics, 2023-06, Vol.121 (11-12)

2023

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Toward Large-Scale Restricted Active Space Calculations Inspired by the Schmidt Decomposition

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-12, Vol.126 (51), p.9709-9718

2022

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Highly tunable magneto-optical response from magnesium-vacancy color centers in diamond

npj quantum information, 2021-06, Vol.7 (1), p.1-5, Article 99

2021

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Toward the efficient local tailored coupled cluster approximation and the peculiar case of oxo-Mn(Salen)

The Journal of chemical physics, 2019-08, Vol.151 (8), p.084112-084112

2019

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Predicting the FCI Energy of Large Systems to Chemical Accuracy from Restricted Active Space Density Matrix Renormalization Group Calculations

Journal of chemical theory and computation, 2024-01, Vol.20 (1), p.87-102

2024

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T3NS: Three-Legged Tree Tensor Network States

Journal of chemical theory and computation, 2018-04, Vol.14 (4), p.2026-2033

2018

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How creating one additional well can generate Bose-Einstein condensation

Communications physics, 2021-02, Vol.4 (1), p.1-8, Article 29

2021

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Corrigendum: An Isolated Molecule of Iron(II) Phthalocyanin Exhibits Quintet Ground‐State: A Nexus between Theory and Experiment

Chemistry : a European journal, 2020-02, Vol.26 (7), p.1691-1691

2020

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Ab initio theory of the negatively charged boron vacancy qubit in hexagonal boron nitride

npj computational materials, 2020-04, Vol.6 (1), Article 41

2020

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Massively parallel quantum chemical density matrix renormalization group method

Journal of computational chemistry, 2021-03, Vol.42 (8), p.534-544

2021

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Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions

The journal of physical chemistry letters, 2016-10, Vol.7 (20), p.4072-4078

2016

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The density matrix renormalization group algorithm on kilo-processor architectures: Implementation and trade-offs

Computer physics communications, 2014-06, Vol.185 (6), p.1570-1581

2014

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The Intricate Case of Tetramethyleneethane: A Full Configuration Interaction Quantum Monte Carlo Benchmark and Multireference Coupled Cluster Studies

Journal of chemical theory and computation, 2018-05, Vol.14 (5), p.2439-2445

2018

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Correction to Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions

The journal of physical chemistry letters, 2017-01, Vol.8 (1), p.291-291

2017

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Elucidating cation-cation interactions in neptunyl dications using multi-reference ab initio theory

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (2), p.744-759

2019

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Spectroscopic evidence for engineered hadronic bound state formation in repulsive fermionic SU ( N ) Hubbard systems

Physical review research, 2023-10, Vol.5 (4), Article 043020

2023

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Communication: four-component density matrix renormalization group

Orbital entanglement and correlation from pCCD-tailored coupled cluster wave functions

Assessing the Accuracy of Tailored Coupled Cluster Methods Corrected by Electronic Wave Functions of Polynomial Cost

Entanglement Measures for Single- and Multireference Correlation Effects

Orbital Entanglement in Bond-Formation Processes

Tensor product methods and entanglement optimization for ab initio quantum chemistry

Compressing multireference character of wave functions via fermionic mode optimization

Quantum information-based analysis of electron-deficient bonds

Toward DMRG-tailored coupled cluster method in the 4c-relativistic domain

Excitation spectra of fully correlated donor-acceptor complexes by density matrix renormalisation group

Toward Large-Scale Restricted Active Space Calculations Inspired by the Schmidt Decomposition

Highly tunable magneto-optical response from magnesium-vacancy color centers in diamond

Toward the efficient local tailored coupled cluster approximation and the peculiar case of oxo-Mn(Salen)

Predicting the FCI Energy of Large Systems to Chemical Accuracy from Restricted Active Space Density Matrix Renormalization Group Calculations

T3NS: Three-Legged Tree Tensor Network States

How creating one additional well can generate Bose-Einstein condensation

Corrigendum: An Isolated Molecule of Iron(II) Phthalocyanin Exhibits Quintet Ground‐State: A Nexus between Theory and Experiment

Ab initio theory of the negatively charged boron vacancy qubit in hexagonal boron nitride

Massively parallel quantum chemical density matrix renormalization group method

Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions

The density matrix renormalization group algorithm on kilo-processor architectures: Implementation and trade-offs

The Intricate Case of Tetramethyleneethane: A Full Configuration Interaction Quantum Monte Carlo Benchmark and Multireference Coupled Cluster Studies

Correction to Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions

Elucidating cation-cation interactions in neptunyl dications using multi-reference ab initio theory

Spectroscopic evidence for engineered hadronic bound state formation in repulsive fermionic SU ( N ) Hubbard systems

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