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Items: 1 to 50 of 72

1.

Testing the expanded continuum hypothesis of schizophrenia and bipolar disorder. Neural and psychological evidence for shared and distinct mechanisms.

Sorella S, Lapomarda G, Messina I, Frederickson JJ, Siugzdaite R, Job R, Grecucci A.

Neuroimage Clin. 2019;23:101854. doi: 10.1016/j.nicl.2019.101854. Epub 2019 May 4. French.

2.

All-Electron Quantum Monte Carlo with Jastrow Single Determinant Ansatz: Application to the Sodium Dimer.

Nakano K, Maezono R, Sorella S.

J Chem Theory Comput. 2019 Jul 9;15(7):4044-4055. doi: 10.1021/acs.jctc.9b00295. Epub 2019 Jun 7.

3.

Photoinduced η Pairing in the Hubbard Model.

Kaneko T, Shirakawa T, Sorella S, Yunoki S.

Phys Rev Lett. 2019 Feb 22;122(7):077002. doi: 10.1103/PhysRevLett.122.077002.

PMID:
30848621
4.

Assessing the accuracy of the Jastrow antisymmetrized geminal power in the H4 model system.

Genovese C, Meninno A, Sorella S.

J Chem Phys. 2019 Feb 28;150(8):084102. doi: 10.1063/1.5081933.

PMID:
30823772
5.

Angle-resolved photoemission spectroscopy from first-principles quantum Monte Carlo.

Barborini M, Sorella S, Rontani M, Corni S.

J Chem Phys. 2018 Oct 21;149(15):154102. doi: 10.1063/1.5038864.

PMID:
30342437
6.

Correlation-Driven Dimerization and Topological Gap Opening in Isotropically Strained Graphene.

Sorella S, Seki K, Brovko OO, Shirakawa T, Miyakoshi S, Yunoki S, Tosatti E.

Phys Rev Lett. 2018 Aug 10;121(6):066402. doi: 10.1103/PhysRevLett.121.066402.

PMID:
30141665
7.

Phase Diagram of Hydrogen and a Hydrogen-Helium Mixture at Planetary Conditions by Quantum Monte Carlo Simulations.

Mazzola G, Helled R, Sorella S.

Phys Rev Lett. 2018 Jan 12;120(2):025701. doi: 10.1103/PhysRevLett.120.025701.

PMID:
29376719
8.

Carbon nanotubes as excitonic insulators.

Varsano D, Sorella S, Sangalli D, Barborini M, Corni S, Molinari E, Rontani M.

Nat Commun. 2017 Nov 13;8(1):1461. doi: 10.1038/s41467-017-01660-8.

9.

Fully Quantum Description of the Zundel Ion: Combining Variational Quantum Monte Carlo with Path Integral Langevin Dynamics.

Mouhat F, Sorella S, Vuilleumier R, Saitta AM, Casula M.

J Chem Theory Comput. 2017 Jun 13;13(6):2400-2417. doi: 10.1021/acs.jctc.7b00017. Epub 2017 May 9.

PMID:
28441484
10.

Accelerating ab initio Molecular Dynamics and Probing the Weak Dispersive Forces in Dense Liquid Hydrogen.

Mazzola G, Sorella S.

Phys Rev Lett. 2017 Jan 6;118(1):015703. doi: 10.1103/PhysRevLett.118.015703. Epub 2017 Jan 6.

PMID:
28106448
11.

Toward Accurate Adsorption Energetics on Clay Surfaces.

Zen A, Roch LM, Cox SJ, Hu XL, Sorella S, Alfè D, Michaelides A.

J Phys Chem C Nanomater Interfaces. 2016 Nov 23;120(46):26402-26413. Epub 2016 Oct 31.

12.

Correlation Effects in Scanning Tunneling Microscopy Images of Molecules Revealed by Quantum Monte Carlo.

Barborini M, Sorella S, Rontani M, Corni S.

J Chem Theory Comput. 2016 Nov 8;12(11):5339-5349. Epub 2016 Oct 21.

PMID:
27709944
13.

Assessing the orbital selective Mott transition with variational wave functions.

Tocchio LF, Arrigoni F, Sorella S, Becca F.

J Phys Condens Matter. 2016 Mar 16;28(10):105602. doi: 10.1088/0953-8984/28/10/105602. Epub 2016 Feb 16.

PMID:
26881997
14.

Geminal embedding scheme for optimal atomic basis set construction in correlated calculations.

Sorella S, Devaux N, Dagrada M, Mazzola G, Casula M.

J Chem Phys. 2015 Dec 28;143(24):244112. doi: 10.1063/1.4938089.

PMID:
26723656
15.

Non-perturbative treatment of the linear covariant gauges by taking into account the Gribov copies.

Capri MA, Pereira AD, Sobreiro RF, Sorella SP.

Eur Phys J C Part Fields. 2015;75(10):479. Epub 2015 Oct 6.

16.
17.

Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo.

Zen A, Luo Y, Mazzola G, Guidoni L, Sorella S.

J Chem Phys. 2015 Apr 14;142(14):144111. doi: 10.1063/1.4917171.

PMID:
25877566
18.

Distinct metallization and atomization transitions in dense liquid hydrogen.

Mazzola G, Sorella S.

Phys Rev Lett. 2015 Mar 13;114(10):105701. Epub 2015 Mar 11.

PMID:
25815949
19.
20.

Quantum Monte Carlo Study of the Protonated Water Dimer.

Dagrada M, Casula M, Saitta AM, Sorella S, Mauri F.

J Chem Theory Comput. 2014 May 13;10(5):1980-93. doi: 10.1021/ct401077x.

PMID:
26580525
21.

Unexpectedly high pressure for molecular dissociation in liquid hydrogen by electronic simulation.

Mazzola G, Yunoki S, Sorella S.

Nat Commun. 2014 Mar 19;5:3487. doi: 10.1038/ncomms4487.

22.

Static and Dynamical Correlation in Diradical Molecules by Quantum Monte Carlo Using the Jastrow Antisymmetrized Geminal Power Ansatz.

Zen A, Coccia E, Luo Y, Sorella S, Guidoni L.

J Chem Theory Comput. 2014 Mar 11;10(3):1048-61. doi: 10.1021/ct401008s. Epub 2014 Feb 27.

PMID:
26580182
23.
24.

Absence of a spin liquid phase in the Hubbard model on the honeycomb lattice.

Sorella S, Otsuka Y, Yunoki S.

Sci Rep. 2012;2:992. doi: 10.1038/srep00992. Epub 2012 Dec 18.

25.

Finite-temperature electronic simulations without the Born-Oppenheimer constraint.

Mazzola G, Zen A, Sorella S.

J Chem Phys. 2012 Oct 7;137(13):134112. doi: 10.1063/1.4755992.

PMID:
23039590
26.

Molecular Electrical Properties from Quantum Monte Carlo Calculations: Application to Ethyne.

Coccia E, Chernomor O, Barborini M, Sorella S, Guidoni L.

J Chem Theory Comput. 2012 Jun 12;8(6):1952-62. doi: 10.1021/ct300171q. Epub 2012 May 4.

PMID:
26593830
27.

Structural Optimization by Quantum Monte Carlo: Investigating the Low-Lying Excited States of Ethylene.

Barborini M, Sorella S, Guidoni L.

J Chem Theory Comput. 2012 Apr 10;8(4):1260-1269.

28.

Fate of the resonating valence bond in graphene.

Marchi M, Azadi S, Sorella S.

Phys Rev Lett. 2011 Aug 19;107(8):086807. Epub 2011 Aug 19.

PMID:
21929194
29.

Glueball masses from an infrared moment problem.

Dudal D, Guimaraes MS, Sorella SP.

Phys Rev Lett. 2011 Feb 11;106(6):062003. Epub 2011 Feb 11.

PMID:
21405461
30.

Algorithmic differentiation and the calculation of forces by quantum Monte Carlo.

Sorella S, Capriotti L.

J Chem Phys. 2010 Dec 21;133(23):234111. doi: 10.1063/1.3516208.

PMID:
21186862
31.

Resonating valence bond wave function with molecular orbitals: application to first-row molecules.

Marchi M, Azadi S, Casula M, Sorella S.

J Chem Phys. 2009 Oct 21;131(15):154116. doi: 10.1063/1.3249966.

PMID:
20568856
32.

Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited.

Casula M, Moroni S, Sorella S, Filippi C.

J Chem Phys. 2010 Apr 21;132(15):154113. doi: 10.1063/1.3380831.

PMID:
20423174
33.

Nature and strength of interlayer binding in graphite.

Spanu L, Sorella S, Galli G.

Phys Rev Lett. 2009 Nov 6;103(19):196401. Epub 2009 Nov 6.

PMID:
20365938
34.

Molecular hydrogen adsorbed on benzene: Insights from a quantum Monte Carlo study.

Beaudet TD, Casula M, Kim J, Sorella S, Martin RM.

J Chem Phys. 2008 Oct 28;129(16):164711. doi: 10.1063/1.2987716.

PMID:
19045302
35.

Dissecting the Hydrogen Bond: A Quantum Monte Carlo Approach.

Sterpone F, Spanu L, Ferraro L, Sorella S, Guidoni L.

J Chem Theory Comput. 2008 Sep 9;4(9):1428-34. doi: 10.1021/ct800121e.

PMID:
26621429
36.

Stable liquid hydrogen at high pressure by a novel Ab initio molecular-dynamics calculation.

Attaccalite C, Sorella S.

Phys Rev Lett. 2008 Mar 21;100(11):114501. Epub 2008 Mar 17.

PMID:
18517790
37.

Superfluid to Mott-insulator transition in Bose-Hubbard models.

Capello M, Becca F, Fabrizio M, Sorella S.

Phys Rev Lett. 2007 Aug 3;99(5):056402. Epub 2007 Aug 3.

PMID:
17930773
38.
39.

Alleviation of the Fermion-sign problem by optimization of many-body wave functions.

Umrigar CJ, Toulouse J, Filippi C, Sorella S, Hennig RG.

Phys Rev Lett. 2007 Mar 16;98(11):110201. Epub 2007 Mar 15. Erratum in: Phys Rev Lett. 2007 Oct 26;99(17):179902.

PMID:
17501026
40.

Diffusion Monte Carlo method with lattice regularization.

Casula M, Filippi C, Sorella S.

Phys Rev Lett. 2005 Sep 2;95(10):100201. Epub 2005 Sep 2.

PMID:
16196912
41.

Role of strong correlation in the recent angle-resolved photoemission spectroscopy experiments on cuprate superconductors.

Yunoki S, Dagotto E, Sorella S.

Phys Rev Lett. 2005 Jan 28;94(3):037001. Epub 2005 Jan 24.

PMID:
15698307
42.

Variational description of Mott insulators.

Capello M, Becca F, Fabrizio M, Sorella S, Tosatti E.

Phys Rev Lett. 2005 Jan 21;94(2):026406. Epub 2005 Jan 20.

PMID:
15698205
43.

Correlated geminal wave function for molecules: an efficient resonating valence bond approach.

Casula M, Attaccalite C, Sorella S.

J Chem Phys. 2004 Oct 15;121(15):7110-26.

PMID:
15473777
44.

Resonating valence bond wave function for the two-dimensional fractional spin liquid.

Yunoki S, Sorella S.

Phys Rev Lett. 2004 Apr 16;92(15):157003. Epub 2004 Apr 15.

PMID:
15169309
45.

Chiral spin liquid wave function and the Lieb-Schultz-Mattis theorem.

Sorella S, Capriotti L, Becca F, Parola A.

Phys Rev Lett. 2003 Dec 19;91(25):257005. Epub 2003 Dec 17.

PMID:
14754142
46.

Increasing d-wave superconductivity by on-site repulsion.

Plekhanov E, Sorella S, Fabrizio M.

Phys Rev Lett. 2003 May 9;90(18):187004. Epub 2003 May 8.

PMID:
12786039
47.

Comment on "Phase diagram of an asymmetric spin ladder".

Capriotti L, Becca F, Sorella S, Parola A.

Phys Rev Lett. 2002 Sep 30;89(14):149701; author reply 149702. Epub 2002 Sep 12. No abstract available.

PMID:
12366085
48.

Superconductivity in the two-dimensional t-J model.

Sorella S, Martins GB, Becca F, Gazza C, Capriotti L, Parola A, Dagotto E.

Phys Rev Lett. 2002 Mar 18;88(11):117002. Epub 2002 Feb 28.

PMID:
11909422
49.

Stripes and spin incommensurabilities are favored by lattice anisotropies.

Becca F, Capriotti L, Sorella S.

Phys Rev Lett. 2001 Oct 15;87(16):167005. Epub 2001 Sep 26.

PMID:
11690229
50.

Resonating valence bond wave functions for strongly frustrated spin systems.

Capriotti L, Becca F, Parola A, Sorella S.

Phys Rev Lett. 2001 Aug 27;87(9):097201. Epub 2001 Aug 8.

PMID:
11531593

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