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Adam A Holmes
Adam A Holmes
Virginia Tech
Verifierad e-postadress på cornell.edu
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Heat-bath configuration interaction: An efficient selected configuration interaction algorithm inspired by heat-bath sampling
AA Holmes, NM Tubman, CJ Umrigar
Journal of chemical theory and computation 12 (8), 3674-3680, 2016
4102016
Semistochastic heat-bath configuration interaction method: Selected configuration interaction with semistochastic perturbation theory
S Sharma, AA Holmes, G Jeanmairet, A Alavi, CJ Umrigar
Journal of chemical theory and computation 13 (4), 1595-1604, 2017
3072017
Semistochastic projector monte carlo method
FR Petruzielo, AA Holmes, HJ Changlani, MP Nightingale, CJ Umrigar
Physical review letters 109 (23), 230201, 2012
2002012
Cheap and near exact CASSCF with large active spaces
JET Smith, B Mussard, AA Holmes, S Sharma
Journal of chemical theory and computation 13 (11), 5468-5478, 2017
1712017
Excited states using semistochastic heat-bath configuration interaction
AA Holmes, CJ Umrigar, S Sharma
The Journal of Chemical Physics 147 (16), 2017
1522017
Fast semistochastic heat-bath configuration interaction
J Li, M Otten, AA Holmes, S Sharma, CJ Umrigar
The Journal of chemical physics 149 (21), 2018
1362018
Excited states of methylene, polyenes, and ozone from heat-bath configuration interaction
AD Chien, AA Holmes, M Otten, CJ Umrigar, S Sharma, PM Zimmerman
The Journal of Physical Chemistry A 122 (10), 2714-2722, 2018
1012018
Efficient heat-bath sampling in Fock space
AA Holmes, HJ Changlani, CJ Umrigar
Journal of Chemical Theory and Computation 12 (4), 1561-1571, 2016
922016
Accurate many-body electronic structure near the basis set limit: Application to the chromium dimer
J Li, Y Yao, AA Holmes, M Otten, Q Sun, S Sharma, CJ Umrigar
Physical Review Research 2 (1), 012015, 2020
422020
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