These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
130 related articles for article (PubMed ID: 35997484)
1. Optimization of Large Determinant Expansions in Quantum Monte Carlo. Ammar A; Giner E; Scemama A J Chem Theory Comput; 2022 Sep; 18(9):5325-5336. PubMed ID: 35997484 [TBL] [Abstract][Full Text] [Related]
2. Non-orthogonal determinants in multi-Slater-Jastrow trial wave functions for fixed-node diffusion Monte Carlo. Pathak S; Wagner LK J Chem Phys; 2018 Dec; 149(23):234104. PubMed ID: 30579315 [TBL] [Abstract][Full Text] [Related]
3. Excited electronic state calculations by the transcorrelated variational Monte Carlo method: application to a helium atom. Umezawa N; Tsuneyuki S J Chem Phys; 2004 Oct; 121(15):7070-5. PubMed ID: 15473772 [TBL] [Abstract][Full Text] [Related]
4. Tailoring CIPSI Expansions for QMC Calculations of Electronic Excitations: The Case Study of Thiophene. Dash M; Moroni S; Filippi C; Scemama A J Chem Theory Comput; 2021 Jun; 17(6):3426-3434. PubMed ID: 34029098 [TBL] [Abstract][Full Text] [Related]
5. Convergence to the fixed-node limit in deep variational Monte Carlo. Schätzle Z; Hermann J; Noé F J Chem Phys; 2021 Mar; 154(12):124108. PubMed ID: 33810658 [TBL] [Abstract][Full Text] [Related]
6. Variational transcorrelated method. Luo H J Chem Phys; 2010 Oct; 133(15):154109. PubMed ID: 20969372 [TBL] [Abstract][Full Text] [Related]
7. Influence of single particle orbital sets and configuration selection on multideterminant wavefunctions in quantum Monte Carlo. Clay RC; Morales MA J Chem Phys; 2015 Jun; 142(23):234103. PubMed ID: 26093546 [TBL] [Abstract][Full Text] [Related]
8. Combining the Transcorrelated Method with Full Configuration Interaction Quantum Monte Carlo: Application to the Homogeneous Electron Gas. Luo H; Alavi A J Chem Theory Comput; 2018 Mar; 14(3):1403-1411. PubMed ID: 29431996 [TBL] [Abstract][Full Text] [Related]
9. Excited-State Diffusion Monte Carlo Calculations: A Simple and Efficient Two-Determinant Ansatz. Blunt NS; Neuscamman E J Chem Theory Comput; 2019 Jan; 15(1):178-189. PubMed ID: 30525592 [TBL] [Abstract][Full Text] [Related]
10. Efficient local energy evaluation for multi-Slater wave functions in orbital space quantum Monte Carlo. Mahajan A; Sharma S J Chem Phys; 2020 Nov; 153(19):194108. PubMed ID: 33218236 [TBL] [Abstract][Full Text] [Related]
11. A study of H+H2 and several H-bonded molecules by phaseless auxiliary-field quantum Monte Carlo with plane wave and Gaussian basis sets. Al-Saidi WA; Krakauer H; Zhang S J Chem Phys; 2007 May; 126(19):194105. PubMed ID: 17523796 [TBL] [Abstract][Full Text] [Related]
12. Extension of selected configuration interaction for transcorrelated methods. Ammar A; Scemama A; Giner E J Chem Phys; 2022 Oct; 157(13):134107. PubMed ID: 36209011 [TBL] [Abstract][Full Text] [Related]
13. Relativistic quantum Monte Carlo method using zeroth-order regular approximation Hamiltonian. Nakatsuka Y; Nakajima T; Nakata M; Hirao K J Chem Phys; 2010 Feb; 132(5):054102. PubMed ID: 20136300 [TBL] [Abstract][Full Text] [Related]
14. Bond breaking with auxiliary-field quantum Monte Carlo. Al-Saidi WA; Zhang S; Krakauer H J Chem Phys; 2007 Oct; 127(14):144101. PubMed ID: 17935380 [TBL] [Abstract][Full Text] [Related]
15. Biorthonormal Orbital Optimization with a Cheap Core-Electron-Free Three-Body Correlation Factor for Quantum Monte Carlo and Transcorrelation. Ammar A; Scemama A; Giner E J Chem Theory Comput; 2023 Aug; 19(15):4883-4896. PubMed ID: 37390472 [TBL] [Abstract][Full Text] [Related]
16. TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo. Nakano K; Attaccalite C; Barborini M; Capriotti L; Casula M; Coccia E; Dagrada M; Genovese C; Luo Y; Mazzola G; Zen A; Sorella S J Chem Phys; 2020 May; 152(20):204121. PubMed ID: 32486669 [TBL] [Abstract][Full Text] [Related]
18. A fast and efficient algorithm for Slater determinant updates in quantum Monte Carlo simulations. Nukala PK; Kent PR J Chem Phys; 2009 May; 130(20):204105. PubMed ID: 19485435 [TBL] [Abstract][Full Text] [Related]
19. Accurate Quantum Monte Carlo Forces for Machine-Learned Force Fields: Ethanol as a Benchmark. Slootman E; Poltavsky I; Shinde R; Cocomello J; Moroni S; Tkatchenko A; Filippi C J Chem Theory Comput; 2024 Jul; 20(14):6020-6027. PubMed ID: 39003522 [TBL] [Abstract][Full Text] [Related]
20. Optimizing the Energy with Quantum Monte Carlo: A Lower Numerical Scaling for Jastrow-Slater Expansions. Assaraf R; Moroni S; Filippi C J Chem Theory Comput; 2017 Nov; 13(11):5273-5281. PubMed ID: 28873307 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]