Works (13)

2022 journal article

A new generation of effective core potentials from correlated and spin-orbit calculations: Selected heavy elements

JOURNAL OF CHEMICAL PHYSICS, 157(5).

By: G. Wang, B. Kincaid, H. Zhou, A. Annaberdiyev, M. Bennett, J. Krogel, L. Mitas

Source: Web Of Science
Added: August 15, 2022

2022 journal article

A quantum Monte Carlo study of systems with effective core potentials and node nonlinearities

CHEMICAL PHYSICS, 554.

Source: Web Of Science
Added: March 7, 2022

2022 journal article

Correlation consistent effective core potentials for late 3d transition metals adapted for plane wave calculations

JOURNAL OF CHEMICAL PHYSICS, 157(17).

By: B. Kincaid, G. Wang, H. Zhou & L. Mitas

Source: Web Of Science
Added: December 5, 2022

2022 journal article

Electronic structure of a-RuCl3 by fixed-node and fixed-phase diffusion Monte Carlo methods

PHYSICAL REVIEW B, 106(7).

By: A. Annaberdiyev n, C. Melton, G. Wang & L. Mitas

Source: Web Of Science
Added: November 21, 2022

2022 journal article

Origin of metal-insulator transitions in correlated perovskite metals

PHYSICAL REVIEW RESEARCH, 4(2).

By: M. Bennett, G. Hu, G. Wang, O. Heinonen, P. Kent, J. Krogel, P. Ganesh

Source: Web Of Science
Added: May 16, 2022

2021 journal article

Cohesion and excitations of diamond-structure silicon by quantum Monte Carlo: Benchmarks and control of systematic biases

PHYSICAL REVIEW B, 103(20).

Source: Web Of Science
Added: June 10, 2021

2020 journal article

Accurate Atomic Correlation and Total Energies for Correlation Consistent Effective Core Potentials

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 16(3), 1482–1502.

Source: Web Of Science
Added: April 6, 2020

2020 journal article

Binding and excitations in SixHy molecular systems using quantum Monte Carlo

JOURNAL OF CHEMICAL PHYSICS, 153(14).

Source: Web Of Science
Added: November 9, 2020

2020 journal article

QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo

JOURNAL OF CHEMICAL PHYSICS, 152(17).

Source: Web Of Science
Added: May 26, 2020

2019 journal article

A new generation of effective core potentials from correlated calculations: 4s and 4p main group elements and first row additions

JOURNAL OF CHEMICAL PHYSICS, 151(14).

Source: Web Of Science
Added: December 16, 2019

2018 journal article

A new generation of effective core potentials from correlated calculations: 2nd row elements

JOURNAL OF CHEMICAL PHYSICS, 149(10).

Source: NC State University Libraries
Added: October 16, 2018

2018 journal article

A new generation of effective core potentials from correlated calculations: 3d transition metal series

JOURNAL OF CHEMICAL PHYSICS, 149(13).

Source: NC State University Libraries
Added: October 19, 2018

2017 journal article

A new generation of effective core potentials for correlated calculations

Journal of Chemical Physics, 147(22).

Source: NC State University Libraries
Added: August 6, 2018