Adam A. Holmes

activity

20122019

most citedHeat-bath Configuration Interaction: An efficient selected CI algorithm inspired by heat-bath sampling

506 citations · 2k across the 10 of their papers we have counts for

collaborators

Showing 2018Show all

2 papers · 1 filter

physics.chem-ph2018★ 143 cited

Fast Semistochastic Heat-Bath Configuration Interaction

Junhao Li, Matt Otten, Adam A Holmes +2

This paper presents in detail our fast semistochastic heat-bath configuration interaction (SHCI) method for solving the many-body Schrodinger equation. We identify and eliminate co…

physics.chem-ph2018★ 129 cited

Excited States of Methylene, Polyenes, and Ozone from Heat-Bath Configuration Interaction

Alan D. Chien, Adam A. Holmes, Matthew Otten +3

The electronically excited states of methylene (CH $_{2}$ ), ethylene (C $_{2}$ H $_{4}$ ), butadiene (C $_{4}$ H $_{6}$ ), hexatriene (C $_{6}$ H $_{8}$ ), and ozone (O $_{3}$ ) have long proven challenging due…