123 related articles for article (PubMed ID: 37889331)
1. Expanding the Design Space of Constraints in Auxiliary-Field Quantum Monte Carlo.
Weber JL; Vuong H; Friesner RA; Reichman DR
J Chem Theory Comput; 2023 Nov; 19(21):7567-7576. PubMed ID: 37889331
[TBL] [Abstract][Full Text] [Related]
2. Interfacing Branching Random Walks with Metropolis Sampling: Constraint Release in Auxiliary-Field Quantum Monte Carlo.
Xiao ZY; Shi H; Zhang S
J Chem Theory Comput; 2023 Oct; 19(19):6782-6795. PubMed ID: 37661928
[TBL] [Abstract][Full Text] [Related]
3. Excited state calculations using phaseless auxiliary-field quantum Monte Carlo: Potential energy curves of low-lying C(2) singlet states.
Purwanto W; Zhang S; Krakauer H
J Chem Phys; 2009 Mar; 130(9):094107. PubMed ID: 19275396
[TBL] [Abstract][Full Text] [Related]
4. A phaseless auxiliary-field quantum Monte Carlo perspective on the uniform electron gas at finite temperatures: Issues, observations, and benchmark study.
Lee J; Morales MA; Malone FD
J Chem Phys; 2021 Feb; 154(6):064109. PubMed ID: 33588535
[TBL] [Abstract][Full Text] [Related]
5. Selected configuration interaction wave functions in phaseless auxiliary field quantum Monte Carlo.
Mahajan A; Lee J; Sharma S
J Chem Phys; 2022 May; 156(17):174111. PubMed ID: 35525646
[TBL] [Abstract][Full Text] [Related]
6. Taming the Sign Problem in Auxiliary-Field Quantum Monte Carlo Using Accurate Wave Functions.
Mahajan A; Sharma S
J Chem Theory Comput; 2021 Aug; 17(8):4786-4798. PubMed ID: 34232637
[TBL] [Abstract][Full Text] [Related]
7. Imaginary time correlations and the phaseless auxiliary field quantum Monte Carlo.
Motta M; Galli DE; Moroni S; Vitali E
J Chem Phys; 2014 Jan; 140(2):024107. PubMed ID: 24437865
[TBL] [Abstract][Full Text] [Related]
8. Twenty Years of Auxiliary-Field Quantum Monte Carlo in Quantum Chemistry: An Overview and Assessment on Main Group Chemistry and Bond-Breaking.
Lee J; Pham HQ; Reichman DR
J Chem Theory Comput; 2022 Dec; 18(12):7024-7042. PubMed ID: 36255074
[TBL] [Abstract][Full Text] [Related]
9. Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C
Lee J; Malone FD; Morales MA
J Chem Theory Comput; 2020 May; 16(5):3019-3027. PubMed ID: 32283932
[TBL] [Abstract][Full Text] [Related]
10. Benchmark Phaseless Auxiliary-Field Quantum Monte Carlo Method for Small Molecules.
Sukurma Z; Schlipf M; Humer M; Taheridehkordi A; Kresse G
J Chem Theory Comput; 2023 Aug; 19(15):4921-4934. PubMed ID: 37470356
[TBL] [Abstract][Full Text] [Related]
11. Toward Linear Scaling Auxiliary-Field Quantum Monte Carlo with Local Natural Orbitals.
Kurian JS; Ye HZ; Mahajan A; Berkelbach TC; Sharma S
J Chem Theory Comput; 2024 Jan; 20(1):134-142. PubMed ID: 38113195
[TBL] [Abstract][Full Text] [Related]
12. Real-time dynamics of strongly correlated fermions using auxiliary field quantum Monte Carlo.
Church MS; Rubenstein BM
J Chem Phys; 2021 May; 154(18):184103. PubMed ID: 34241020
[TBL] [Abstract][Full Text] [Related]
13. Spectral Functions from Auxiliary-Field Quantum Monte Carlo without Analytic Continuation: The Extended Koopmans' Theorem Approach.
Lee J; Malone FD; Morales MA; Reichman DR
J Chem Theory Comput; 2021 Jun; 17(6):3372-3387. PubMed ID: 33983735
[TBL] [Abstract][Full Text] [Related]
14. Chemical Transformations Approaching Chemical Accuracy via Correlated Sampling in Auxiliary-Field Quantum Monte Carlo.
Shee J; Zhang S; Reichman DR; Friesner RA
J Chem Theory Comput; 2017 Jun; 13(6):2667-2680. PubMed ID: 28481546
[TBL] [Abstract][Full Text] [Related]
15. A Localized-Orbital Energy Evaluation for Auxiliary-Field Quantum Monte Carlo.
Weber JL; Vuong H; Devlaminck PA; Shee J; Lee J; Reichman DR; Friesner RA
J Chem Theory Comput; 2022 Jun; 18(6):3447-3459. PubMed ID: 35507769
[TBL] [Abstract][Full Text] [Related]
16. Some recent developments in auxiliary-field quantum Monte Carlo for real materials.
Shi H; Zhang S
J Chem Phys; 2021 Jan; 154(2):024107. PubMed ID: 33445908
[TBL] [Abstract][Full Text] [Related]
17. Classical and quantum trial wave functions in auxiliary-field quantum Monte Carlo applied to oxygen allotropes and a CuBr2 model system.
Amsler M; Deglmann P; Degroote M; Kaicher MP; Kiser M; Kühn M; Kumar C; Maier A; Samsonidze G; Schroeder A; Streif M; Vodola D; Wever C;
J Chem Phys; 2023 Jul; 159(4):. PubMed ID: 37522404
[TBL] [Abstract][Full Text] [Related]
18. On Achieving High Accuracy in Quantum Chemical Calculations of 3 d Transition Metal-Containing Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules.
Shee J; Rudshteyn B; Arthur EJ; Zhang S; Reichman DR; Friesner RA
J Chem Theory Comput; 2019 Apr; 15(4):2346-2358. PubMed ID: 30883110
[TBL] [Abstract][Full Text] [Related]
19. Toward Benchmark-Quality
Neugebauer H; Vuong HT; Weber JL; Friesner RA; Shee J; Hansen A
J Chem Theory Comput; 2023 Sep; 19(18):6208-6225. PubMed ID: 37655473
[TBL] [Abstract][Full Text] [Related]
20. Phaseless Auxiliary-Field Quantum Monte Carlo on Graphical Processing Units.
Shee J; Arthur EJ; Zhang S; Reichman DR; Friesner RA
J Chem Theory Comput; 2018 Aug; 14(8):4109-4121. PubMed ID: 29897748
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]