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Lubos Mitas
Is fixed-node diffusion quantum Monte Carlo reproducible?
22 January 2025 by
Flaviano Della Pia
and
others
Computational Physics
,
Materials Science
Fixed-node errors in real space quantum Monte Carlo at high densities: closed-shell atomic correlation energies
16 June 2024 by
Lubos Mitas
Strongly Correlated Electrons
Towards improved property prediction of two-dimensional (2D) materials using many-body Quantum Monte Carlo methods
4 June 2024 by
Daniel Wines
and
others
Materials Science
The role of electron correlations in the electronic structure of putative Chern magnet TbMn
_6
Sn
_6
28 September 2023 by
Abdulgani Annaberdiyev
and
others
Strongly Correlated Electrons
,
Materials Science
Quantum Monte Carlo pair orbital wave functions for periodic systems towards the thermodynamical limit: ground states, excitations and spinors
26 September 2023 by
Lubos Mitas
Strongly Correlated Electrons
,
Other Condensed Matter
A new generation of effective core potentials: selected Lanthanides and heavy elements
21 September 2023 by
Haihan Zhou
and
others
Materials Science
,
Chemical Physics
Electronic structure of
\boldsymbolα
-RuCl
_3
by fixed-node and fixed-phase diffusion Monte Carlo methods
15 August 2022 by
Abdulgani Annaberdiyev
and
others
Strongly Correlated Electrons
,
Materials Science
Correlation consistent effective core potentials for late 3d transition metals adapted for plane wave calculations
5 July 2022 by
Benjamin Kincaid
and
others
Materials Science
Assessing the accuracy of compound formation energies with quantum Monte Carlo
21 June 2022 by
Eric Isaacs
and
others
Materials Science
,
Computational Physics
A new generation of effective core potentials from correlated and spin-orbit calculations: selected heavy elements
12 February 2022 by
Guangming Wang
and
others
Materials Science
,
Chemical Physics
A quantum Monte Carlo study of systems with effective core potentials and node nonlinearities
17 September 2021 by
Haihan Zhou
and
others
Computational Physics
,
Chemical Physics
Weighted nodal domain averages of eigenstates for quantum Monte Carlo and beyond
3 September 2021 by
Lubos Mitas
and
Abdulgani Annaberdiyev
Computational Physics
Cohesion and excitations of diamond-structure silicon by quantum Monte Carlo: Benchmarks and control of systematic biases
21 May 2021 by
Abdulgani Annaberdiyev
and
others
Materials Science
,
Computational Physics
Binding and excitations in Si
_x
H
_y
molecular systems using quantum Monte Carlo
20 October 2020 by
Guangming Wang
and
others
Chemical Physics
,
Materials Science
QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion Quantum Monte Carlo
6 May 2020 by
P. R. C. Kent
and
others
Computational Physics
Accurate atomic correlation and total energies for correlation consistent effective core potentials
21 February 2020 by
Abdulgani Annaberdiyev
and
others
Materials Science
,
Chemical Physics
A new generation of effective core potentials from correlated calculations: 4s and 4p main group elements and first row additions
9 October 2019 by
Guangming Wang
and
others
Materials Science
,
Chemical Physics
New generation of effective core potentials from correlated calculations: 2nd row elements
7 September 2018 by
M. Chandler Bennett
and
others
Materials Science
,
Chemical Physics
Many-body quantum Monte Carlo study of 2D materials: cohesion and band gap in single-layer phosphorene
28 May 2018 by
Tobias Frank
and
others
Mesoscale and Nanoscale Physics
New generation of effective core potentials from correlated calculations: 3d transition metal series
16 May 2018 by
Abdulgani Annaberdiyev
and
others
at
North Carolina State University
Materials Science
,
Chemical Physics
QMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids
4 April 2018 by
Jeongnim Kim
and
others
Computational Physics
,
Chemical Physics
A New Generation of Effective Core Potentials for Correlated Calculations
28 November 2017 by
M. Chandler Bennett
and
others
Chemical Physics
,
Materials Science
Projector quantum Monte Carlo with averaged vs. explicit spin-orbit effects: applications to tungsten molecular systems
8 August 2017 by
Cody Melton
and
others
Chemical Physics
,
Computational Physics
Quantum Monte Carlo with variable spins: fixed-phase and fixed-node approximations
9 March 2017 by
Cody Melton
and
Lubos Mitas
Computational Physics
,
Materials Science
A Quantum Monte Carlo Study of mono(benzene)TM and bis(benzene)TM Systems
13 August 2016 by
M. Chandler Bennett
and
others
Chemical Physics
,
Computational Physics
Quantum Monte Carlo for Noncovalent Interactions: An Efficient Protocol Attaining Benchmark Accuracy
3 June 2016 by
Matus Dubecky
and
others
Chemical Physics
,
Materials Science
Fixed-node and fixed-phase approximations and their relationship to variable spins in quantum Monte Carlo
12 May 2016 by
Cody Melton
and
Lubos Mitas
Computational Physics
,
Materials Science
Quantum Monte Carlo with Variable Spins
29 April 2016 by
Cody Melton
and
others
Computational Physics
,
Materials Science
Spin-Orbit Interactions in Electronic Structure Quantum Monte Carlo
27 January 2016 by
Cody Melton
and
others
Strongly Correlated Electrons
,
Atomic Physics
Fixed-Node Diffusion Monte Carlo of Lithium Systems
25 February 2015 by
Kevin Rasch
and
Lubos Mitas
Computational Physics
,
Materials Science
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