Updated: April 11th, 2023 10:13

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).

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*.

author keywords: Node nonlinearity; Effective core potentials; Diffusion Monte Carlo; T-moves

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).

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).

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).

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: Web Of Science

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: Web Of Science

Added: October 19, 2018

2017 journal article

A new generation of effective core potentials for correlated calculations

*JOURNAL OF CHEMICAL PHYSICS*, *147*(22).

Source: Web Of Science

Added: August 6, 2018