Heat-Bath Configuration Interaction: An Efficient Selected Configuration Interaction Algorithm Inspired by Heat-Bath Sampling von Holmes, Adam A, Tubman, Norm M, Umrigar, C. J

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Semistochastic Heat-Bath Configuration Interaction Method: Selected Configuration Interaction with Semistochastic Perturbation Theory von Sharma, Sandeep, Holmes, Adam A, Jeanmairet, Guillaume, Alavi, Ali, Umrigar, C. J

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Almost exact energies for the Gaussian-2 set with the semistochastic heat-bath configuration interaction method von Yao, Yuan, Giner, Emmanuel, Li, Junhao, Toulouse, Julien, Umrigar, C. J.

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Excited states using semistochastic heat-bath configuration interaction von Holmes, Adam A., Umrigar, C. J., Sharma, Sandeep

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Orbital Optimization in Selected Configuration Interaction Methods von Yao, Yuan, Umrigar, C. J

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The Ground State Electronic Energy of Benzene von Eriksen, Janus J, Anderson, Tyler A, Deustua, J. Emiliano, Ghanem, Khaldoon, Hait, Diptarka, Hoffmann, Mark R, Lee, Seunghoon, Levine, Daniel S, Magoulas, Ilias, Shen, Jun, Tubman, Norm M, Whaley, K. Birgitta, Xu, Enhua, Yao, Yuan, Zhang, Ning, Alavi, Ali, Chan, Garnet Kin-Lic, Head-Gordon, Martin, Liu, Wenjian, Piecuch, Piotr, Sharma, Sandeep, Ten-no, Seiichiro L, Umrigar, C. J, Gauss, Jürgen

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The Chromium Dimer: Closing a Chapter of Quantum Chemistry von Larsson, Henrik R., Zhai, Huanchen, Umrigar, C. J., Chan, Garnet Kin-Lic

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Fast semistochastic heat-bath configuration interaction von Li, Junhao, Otten, Matthew, Holmes, Adam A., Sharma, Sandeep, Umrigar, C. J.

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The electronic complexity of the ground-state of the FeMo cofactor of nitrogenase as relevant to quantum simulations von Li, Zhendong, Li, Junhao, Dattani, Nikesh S., Umrigar, C. J., Chan, Garnet Kin-Lic

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Efficient Heat-Bath Sampling in Fock Space von Holmes, Adam A, Changlani, Hitesh J, Umrigar, C. J

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Observations on variational and projector Monte Carlo methods von Umrigar, C J

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Externally Corrected CCSD with Renormalized Perturbative Triples (R-ecCCSD(T)) and the Density Matrix Renormalization Group and Selected Configuration Interaction External Sources von Lee, Seunghoon, Zhai, Huanchen, Sharma, Sandeep, Umrigar, C. J, Chan, Garnet Kin-Lic

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Optimization of quantum Monte Carlo wave functions by energy minimization von Toulouse, Julien, Umrigar, C J

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Accurate energies of transition metal atoms, ions, and monoxides using selected configuration interaction and density-based basis-set corrections von Yao, Yuan, Giner, Emmanuel, Anderson, Tyler A., Toulouse, Julien, Umrigar, C. J.

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Full optimization of Jastrow-Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules von Toulouse, Julien, Umrigar, C J

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Reducing the time-step errors in diffusion Monte Carlo von Anderson, Tyler A., Per, Manolo C., Umrigar, C. J.

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Nonlocal pseudopotentials and time-step errors in diffusion Monte Carlo von Anderson, Tyler A., Umrigar, C. J.

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Spectroscopic accuracy directly from quantum chemistry: application to ground and excited states of beryllium dimer von Sharma, Sandeep, Yanai, Takeshi, Booth, George H, Umrigar, C J, Chan, Garnet Kin-Lic

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Erratum: “Nonlocal pseudopotentials and time-step errors in diffusion Monte Carlo” [J. Chem. Phys. 154, 214110 (2021)] von Anderson, Tyler A., Umrigar, C. J.

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Approaching chemical accuracy with quantum Monte Carlo von Petruzielo, F. R., Toulouse, Julien, Umrigar, C. J.

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