15 citations · 15 across the 1 of their papers we have counts for
3 papers
physics.chem-ph2020★ 15 cited
How important are the residual nonadiabatic couplings for an accurate simulation of nonadiabatic quantum dynamics in a quasidiabatic representation?
Seonghoon Choi, Jiří Vaníček
Diabatization of the molecular Hamiltonian is a standard approach to removing the singularities of nonadiabatic couplings at conical intersections of adiabatic potential energy sur…
quant-ph2019
A time-reversible integrator for the time-dependent Schrödinger equation on an adaptive grid
Seonghoon Choi, Jiří Vaníček
One of the most accurate methods for solving the time-dependent Schrödinger equation uses a combination of the dynamic Fourier method with the split-operator algorithm on a tensor-…
physics.comp-ph2018
The HANDE-QMC project: open-source stochastic quantum chemistry from the ground state up
James S. Spencer, Nick S. Blunt, Seonghoon Choi +15
Building on the success of Quantum Monte Carlo techniques such as diffusion Monte Carlo, alternative stochastic approaches to solve electronic structure problems have emerged over…