Works (7)

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.

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

Source: Web Of Science
Added: April 6, 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).

By: P. Kent, A. Annaberdiyev, A. Benali, M. Bennett, E. Borda, P. Doak, H. Hao, K. Jordan ...

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).

By: G. Wang, A. Annaberdiyev, C. Melton, M. Bennett, L. Shulenburger & L. Mitas

Source: Web Of Science
Added: December 16, 2019

2019 journal article

Projector quantum Monte Carlo with averaged vs explicit spin-orbit effects: Applications to tungsten molecular systems

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 128, 367–373.

By: C. Melton, M. Bennett & L. Mitas

Source: Web Of Science
Added: July 15, 2019

2017 journal article

A new generation of effective core potentials for correlated calculations

Journal of Chemical Physics, 147(22).

By: M. Bennett, C. Melton, A. Annaberdiyev, G. Wang, L. Shulenburger & L. Mitas

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

2017 journal article

A quantum Monte Carlo study of mono(benzene) TM and bis(benzene) TM systems

Chemical Physics Letters, 667, 74–78.

By: M. Bennett, A. Kulahlioglu & L. Mitas

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

2016 journal article

Quantum Monte Carlo with variable spins

Journal of Chemical Physics, 144(24).

By: C. Melton, M. Bennett & L. Mitas

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