357 related articles for article (PubMed ID: 30102856)
1. Ab Initio Finite Temperature Auxiliary Field Quantum Monte Carlo.
Liu Y; Cho M; Rubenstein B
J Chem Theory Comput; 2018 Sep; 14(9):4722-4732. PubMed ID: 30102856
[TBL] [Abstract][Full Text] [Related]
2. Unveiling the Finite Temperature Physics of Hydrogen Chains via Auxiliary Field Quantum Monte Carlo.
Liu Y; Shen T; Zhang H; Rubenstein B
J Chem Theory Comput; 2020 Jul; 16(7):4298-4314. PubMed ID: 32456436
[TBL] [Abstract][Full Text] [Related]
3. Density-matrix based determination of low-energy model Hamiltonians from ab initio wavefunctions.
Changlani HJ; Zheng H; Wagner LK
J Chem Phys; 2015 Sep; 143(10):102814. PubMed ID: 26374007
[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. Using Density Matrix Quantum Monte Carlo for Calculating Exact-on-Average Energies for
Petras HR; Ramadugu SK; Malone FD; Shepherd JJ
J Chem Theory Comput; 2020 Feb; 16(2):1029-1038. PubMed ID: 31944692
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
Hafner J
J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. Finite temperature auxiliary field quantum Monte Carlo in the canonical ensemble.
Shen T; Liu Y; Yu Y; Rubenstein BM
J Chem Phys; 2020 Nov; 153(20):204108. PubMed ID: 33261485
[TBL] [Abstract][Full Text] [Related]
10. QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids.
Kim J; Baczewski AT; Beaudet TD; Benali A; Bennett MC; Berrill MA; Blunt NS; Borda EJL; Casula M; Ceperley DM; Chiesa S; Clark BK; Clay RC; Delaney KT; Dewing M; Esler KP; Hao H; Heinonen O; Kent PRC; Krogel JT; Kylänpää I; Li YW; Lopez MG; Luo Y; Malone FD; Martin RM; Mathuriya A; McMinis J; Melton CA; Mitas L; Morales MA; Neuscamman E; Parker WD; Pineda Flores SD; Romero NA; Rubenstein BM; Shea JAR; Shin H; Shulenburger L; Tillack AF; Townsend JP; Tubman NM; Van Der Goetz B; Vincent JE; Yang DC; Yang Y; Zhang S; Zhao L
J Phys Condens Matter; 2018 May; 30(19):195901. PubMed ID: 29582782
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Computation of Ground-State Properties in Molecular Systems: Back-Propagation with Auxiliary-Field Quantum Monte Carlo.
Motta M; Zhang S
J Chem Theory Comput; 2017 Nov; 13(11):5367-5378. PubMed ID: 29053270
[TBL] [Abstract][Full Text] [Related]
13. Phaseless auxiliary field quantum Monte Carlo with projector-augmented wave method for solids.
Taheridehkordi A; Schlipf M; Sukurma Z; Humer M; Grüneis A; Kresse G
J Chem Phys; 2023 Jul; 159(4):. PubMed ID: 37493127
[TBL] [Abstract][Full Text] [Related]
14. Auxiliary-field quantum Monte Carlo calculations of molecular systems with a Gaussian basis.
Al-Saidi WA; Zhang S; Krakauer H
J Chem Phys; 2006 Jun; 124(22):224101. PubMed ID: 16784257
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. Efficient Ab Initio Auxiliary-Field Quantum Monte Carlo Calculations in Gaussian Bases via Low-Rank Tensor Decomposition.
Motta M; Shee J; Zhang S; Chan GK
J Chem Theory Comput; 2019 Jun; 15(6):3510-3521. PubMed ID: 31091103
[TBL] [Abstract][Full Text] [Related]
17. Stable recursive auxiliary field quantum Monte Carlo algorithm in the canonical ensemble: Applications to thermometry and the Hubbard model.
Shen T; Barghathi H; Yu J; Del Maestro A; Rubenstein BM
Phys Rev E; 2023 May; 107(5-2):055302. PubMed ID: 37329093
[TBL] [Abstract][Full Text] [Related]
18. An auxiliary-field quantum Monte Carlo study of the chromium dimer.
Purwanto W; Zhang S; Krakauer H
J Chem Phys; 2015 Feb; 142(6):064302. PubMed ID: 25681901
[TBL] [Abstract][Full Text] [Related]
19. On the room-temperature phase diagram of high pressure hydrogen: an ab initio molecular dynamics perspective and a diffusion Monte Carlo study.
Chen J; Ren X; Li XZ; Alfè D; Wang E
J Chem Phys; 2014 Jul; 141(2):024501. PubMed ID: 25028021
[TBL] [Abstract][Full Text] [Related]
20. Temperature and bath size in exact diagonalization dynamical mean field theory.
Liebsch A; Ishida H
J Phys Condens Matter; 2012 Feb; 24(5):053201. PubMed ID: 22156113
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
