J
Junhao Li
Researcher at Cornell University
Publications - 13
Citations - 511
Junhao Li is an academic researcher from Cornell University. The author has contributed to research in topics: Slater determinant & Configuration interaction. The author has an hindex of 7, co-authored 10 publications receiving 354 citations.
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Fast semistochastic heat-bath configuration interaction
TL;DR: In this article, a fast semistochastic heat-bath configuration interaction (SHCI) method for solving the many-body Schrodinger equation is presented, which identifies and eliminates computational bottlenecks in both the variational and perturbative steps.
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Direct comparison of many-body methods for realistic electronic Hamiltonians
Kiel T. Williams,Yuan Yao,Jia Li,Li Chen,Hao Shi,Mario Motta,Chun-Yao Niu,Ushnish Ray,Sheng Guo,Robert J. Anderson,Junhao Li,Lan Nguyen Tran,Chia-Nan Yeh,Bastien Mussard,Sandeep Sharma,Fabien Bruneval,Mark van Schilfgaarde,George H. Booth,Garnet Kin-Lic Chan,Shiwei Zhang,Emanuel Gull,Dominika Zgid,Andrew J. Millis,Cyrus Umrigar,Lucas K. Wagner +24 more
TL;DR: In this paper, a large collaboration carefully benchmarks 20 first principles many-body electronic structure methods on a test set of 7 transition metal atoms, and their ions and monoxides.
Journal ArticleDOI
Direct Comparison of Many-Body Methods for Realistic Electronic Hamiltonians
Kiel T. Williams,Yuan Yao,Jia Li,Li Chen,Hao Shi,Mario Motta,Chun-Yao Niu,Ushnish Ray,Sheng Guo,Robert J. Anderson,Junhao Li,Lan Nguyen Tran,Chia-Nan Yeh,Bastien Mussard,Sandeep Sharma,Fabien Bruneval,Mark van Schilfgaarde,George H. Booth,Garnet Kin-Lic Chan,Shiwei Zhang,Emanuel Gull,Dominika Zgid,Andrew J. Millis,Cyrus Umrigar,Lucas K. Wagner +24 more
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The electronic complexity of the ground-state of the FeMo cofactor of nitrogenase as relevant to quantum simulations
TL;DR: A different model active space for the FeMo cofactor that contains the basic open-shell qualitative character may be useful as a benchmark system for making resource estimates for classical and quantum computers.
Journal ArticleDOI
Accurate many-body electronic structure near the basis set limit: Application to the chromium dimer
Junhao Li,Yuan Yao,Adam A. Holmes,Adam A. Holmes,Matthew Otten,Qiming Sun,Qiming Sun,Sandeep Sharma,Cyrus Umrigar +8 more
TL;DR: The method efficiently identifies the most important basis states (Slater determinants) and performs a variational calculation in the subspace spanned by these determinants and successfully computing a near-exact potential energy curve for a very challenging molecule: the chromium dimer.