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Takashi Tsuchimochi, Ph.D. - Publications

Affiliations: 
Rice University, Houston, TX 
Area:
Quantum Chemistry
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31 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Epifanovsky E, Gilbert ATB, Feng X, Lee J, Mao Y, Mardirossian N, Pokhilko P, White AF, Coons MP, Dempwolff AL, Gan Z, Hait D, Horn PR, Jacobson LD, Kaliman I, ... ... Tsuchimochi T, et al. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801. PMID 34470363 DOI: 10.1063/5.0055522  0.607
2021 Tsuchimochi T, Yoshimura K, Shimomoto Y, Ten-No SL. Improved Description and Efficient Implementation of Spin-Projected Perturbation Theory for Practical Applications. Journal of Chemical Theory and Computation. 17: 3471-3482. PMID 33971717 DOI: 10.1021/acs.jctc.1c00324  0.368
2020 Tsuchimochi T. Systematic Approach to Electron Correlation via Spin-symmetry Breaking and Restoration Molecular Science. 14. DOI: 10.3175/Molsci.14.A0109  0.423
2019 Tsuchimochi T, Ten-No SL. Second-order perturbation theory with spin-symmetry projected Hartree-Fock. Journal of Chemical Theory and Computation. PMID 31661264 DOI: 10.1021/Acs.Jctc.9B00897  0.476
2019 Tsuchimochi T, Ten-No SL. Extending spin-symmetry projected coupled-cluster to large model spaces using an iterative null-space projection technique. Journal of Computational Chemistry. 40: 265-278. PMID 30520115 DOI: 10.1002/Jcc.25587  0.445
2018 Tsuchimochi T, Ten-No SL. Orbital-invariant spin-extended approximate coupled-cluster for multi-reference systems. The Journal of Chemical Physics. 149: 044109. PMID 30068163 DOI: 10.1063/1.5036542  0.45
2017 Tsuchimochi T, Ten-No S. Bridging single- and multireference domains for electron correlation: spin-extended coupled electron pair approximation. Journal of Chemical Theory and Computation. PMID 28240896 DOI: 10.1021/Acs.Jctc.7B00073  0.523
2017 Tsuchimochi T, Ten-No S. General technique for analytical derivatives of post-projected Hartree-Fock. The Journal of Chemical Physics. 146: 074104. PMID 28228026 DOI: 10.1063/1.4976145  0.512
2016 Welborn M, Tsuchimochi T, Van Voorhis T. Bootstrap embedding: An internally consistent fragment-based method. The Journal of Chemical Physics. 145: 074102. PMID 27544082 DOI: 10.1063/1.4960986  0.408
2016 Tsuchimochi T, Ten-No S. Black-box description of electron correlation with spin-extended configuration interaction model: Implementation and Assessment. Journal of Chemical Theory and Computation. PMID 26950651 DOI: 10.1021/Acs.Jctc.6B00137  0.468
2016 Tsuchimochi T, Ten-No S. Communication: Configuration interaction combined with spin-projection for strongly correlated molecular electronic structures. The Journal of Chemical Physics. 144: 011101. PMID 26747794 DOI: 10.1063/1.4939585  0.468
2015 Tsuchimochi T. Spin-flip configuration interaction singles with exact spin-projection: Theory and applications to strongly correlated systems. The Journal of Chemical Physics. 143: 144114. PMID 26472370 DOI: 10.1063/1.4933113  0.474
2015 Tsuchimochi T, Welborn M, Van Voorhis T. Density matrix embedding in an antisymmetrized geminal power bath. The Journal of Chemical Physics. 143: 024107. PMID 26178090 DOI: 10.1063/1.4926650  0.408
2015 Tsuchimochi T, Van Voorhis T. Time-dependent projected Hartree-Fock. The Journal of Chemical Physics. 142: 124103. PMID 25833561 DOI: 10.1063/1.4914511  0.43
2014 Tsuchimochi T, Van Voorhis T. Extended Møller-Plesset perturbation theory for dynamical and static correlations. The Journal of Chemical Physics. 141: 164117. PMID 25362282 DOI: 10.1063/1.4898804  0.499
2014 Kaduk B, Tsuchimochi T, Van Voorhis T. Analytic energy gradients for constrained DFT-configuration interaction. The Journal of Chemical Physics. 140: 18A503. PMID 24832311 DOI: 10.1063/1.4862497  0.377
2013 Kowalczyk T, Tsuchimochi T, Chen PT, Top L, Van Voorhis T. Excitation energies and Stokes shifts from a restricted open-shell Kohn-Sham approach. The Journal of Chemical Physics. 138: 164101. PMID 23635105 DOI: 10.1063/1.4801790  0.387
2012 Jiménez-Hoyos CA, Henderson TM, Tsuchimochi T, Scuseria GE. Projected Hartree-Fock theory. The Journal of Chemical Physics. 136: 164109. PMID 22559472 DOI: 10.1063/1.4705280  0.579
2012 Jiménez-Hoyos CA, Henderson TM, Tsuchimochi T, Scuseria GE. Projected Hartree-Fock theory Journal of Chemical Physics. 136. DOI: 10.1063/1.4705280  0.447
2011 Ellis JK, Jiménez-Hoyos CA, Henderson TM, Tsuchimochi T, Scuseria GE. Constrained-pairing mean-field theory. V. Triplet pairing formalism. The Journal of Chemical Physics. 135: 034112. PMID 21786992 DOI: 10.1063/1.3610650  0.598
2011 Tsuchimochi T, Scuseria GE. Constrained active space unrestricted mean-field methods for controlling spin-contamination. The Journal of Chemical Physics. 134: 064101. PMID 21322655 DOI: 10.1063/1.3549134  0.589
2011 Ellis JK, Jiménez-Hoyos CA, Henderson TM, Tsuchimochi T, Scuseria GE. Constrained-pairing mean-field theory. V. Triplet pairing formalism Journal of Chemical Physics. 135. DOI: 10.1063/1.3610650  0.468
2011 Tsuchimochi T, Scuseria GE. Constrained active space unrestricted mean-field methods for controlling spin-contamination Journal of Chemical Physics. 134. DOI: 10.1063/1.3549134  0.475
2010 Tsuchimochi T, Scuseria GE. Communication: ROHF theory made simple. The Journal of Chemical Physics. 133: 141102. PMID 20949979 DOI: 10.1063/1.3503173  0.595
2010 Tsuchimochi T, Henderson TM, Scuseria GE, Savin A. Constrained-pairing mean-field theory. IV. Inclusion of corresponding pair constraints and connection to unrestricted Hartree-Fock theory. The Journal of Chemical Physics. 133: 134108. PMID 20942524 DOI: 10.1063/1.3490478  0.576
2010 Tsuchimochi T, Scuseria GE, Savin A. Constrained-pairing mean-field theory. III. Inclusion of density functional exchange and correlation effects via alternative densities. The Journal of Chemical Physics. 132: 024111. PMID 20095667 DOI: 10.1063/1.3292640  0.587
2010 Tsuchimochi T, Scuseria GE. Communication: ROHF theory made simple Journal of Chemical Physics. 133. DOI: 10.1063/1.3503173  0.402
2010 Tsuchimochi T, Henderson TM, Scuseria GE, Savin A. Constrained-pairing mean-field theory. IV. Inclusion of corresponding pair constraints and connection to unrestricted Hartree-Fock theory Journal of Chemical Physics. 133. DOI: 10.1063/1.3490478  0.488
2009 Scuseria GE, Tsuchimochi T. Constrained-pairing mean-field theory. II. Exact treatment of dissociations to nondegenerate orbitals. The Journal of Chemical Physics. 131: 164119. PMID 19894939 DOI: 10.1063/1.3257965  0.609
2009 Tsuchimochi T, Scuseria GE. Strong correlations via constrained-pairing mean-field theory. The Journal of Chemical Physics. 131: 121102. PMID 19791843 DOI: 10.1063/1.3237029  0.588
2008 Tsuchimochi T, Kobayashi M, Nakata A, Imamura Y, Nakai H. Application of the Sakurai-Sugiura projection method to core-excited-state calculation by time-dependent density functional theory. Journal of Computational Chemistry. 29: 2311-6. PMID 18432618 DOI: 10.1002/Jcc.20969  0.437
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