Works (14)

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

Many-body electronic structure of LaScO3 by real-space quantum Monte Carlo

PHYSICAL REVIEW B, 102(4).

By: C. Melton & L. Mitas

Source: Web Of Science
Added: July 20, 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

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 n & L. Mitas

Source: Web Of Science
Added: July 15, 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

2017 journal article

Quantum Monte Carlo with variable spins: Fixed-phase and fixed-node approximations

Physical Review E, 96(4).

By: C. Melton & L. Mitas

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

2016 conference paper

Fixed-node and fixed-phase approximations and their relationship to variable spins in quantum monte carlo

Recent progress in quantum monte carlo, 1234, 1–13.

By: C. Melton & 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

2016 journal article

Spin-orbit interactions in electronic structure quantum Monte Carlo methods

Physical Review A, 93(4).

By: C. Melton, M. Zhu, S. Guo n, A. Ambrosetti*, F. Pederiva* & L. Mitas

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

2014 conference paper

Neutrinos and nucleosynthesis in core-collapse supernovae

American Institute of Physics Conference Series, 1604, 178–184.

By: C. Fröhlich, J. Casanova, M. Hempel, M. Liebendörfer, C. Melton & A. Perego

Sources: NC State University Libraries, ORCID
Added: August 6, 2018