Articles

07 Oct 2022
Articles

Extension of selected configuration interaction for transcorrelated methods

ARXIV



Read More
31 Oct 2022
Articles

Double Excitation Energies from Quantum Monte Carlo Using State-Specific Energy Optimization

ARXIV





Read More
25 May 2022
Articles

Optimization of large determinant expansions in quantum Monte Carlo

ARXIV



Read More
26 Jan 2022
Articles

Reference Excitation Energies of Increasingly Large Molecules: A QMC Study of Cyanine Dyes

ARXIV




Read More
12 Mar 2022
Articles

Hydrogen phase-IV characterization by full account of quantum anharmonicity

ARXIV



Read More
14 Feb 2022
Articles

Quantum phase diagram of high-pressure hydrogen

ARXIV





Read More
15 Feb 2022
Articles

Dispersion Interactions between Molecules in and out of Equilibrium Geometry: Visualization and Analysis





Read More
11 Nov 2021
Articles

Ground-state properties of the narrowest zigzag graphene nanoribbon from quantum Monte Carlo and comparison with density functional theory

ARXIV



Read More
28 Dec 2021
Articles

Quantum Rényi entropy by optimal thermodynamic integration paths

ARXIV



Read More
20 Dec 2021
Articles

Energy Derivatives in Real-Space Diffusion Monte Carlo





Read More
Subscribe to Articles