General Analytical Nuclear Forces and Molecular Potential Energy Surface from Full Configuration Interaction Quantum Monte Carlo.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00440
Abstract: The full configuration interaction quantum Monte Carlo (FCIQMC) is a state-of-the-art stochastic electronic structure method, providing a methodology to compute FCI-level state energies of molecular systems within a quantum chemical basis. However, especially to probe… read more here.
Keywords: nuclear forces; energy; interaction quantum; configuration interaction ... See more keywords
Extraordinary SEAWs under influence of the spin-spin interaction and the quantum Bohm potential
Sign Up to like & getrecommendations! Published in 2018 at "Physics of Plasmas"
DOI: 10.1063/1.5034775
Abstract: The separate spin evolution (SSE) of electrons causes the existence of the spin-electron acoustic wave. Extraordinary spin-electron acoustic waves (SEAWs) propagating perpendicular to the external magnetic field have large contribution of the transverse electric field.… read more here.
Keywords: interaction quantum; spin; spin spin; quantum bohm ... See more keywords