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Analytical derivatives of the individual state energies in ensemble density functional theory method. I. General formalism File

Filatov, Michael , Liu, Fang , Martinez, Todd J.

Article Issue Date2017-07 View20
Application of adjoint-based sensitivity analysis to natural circulation of high-Pr fluid inside heat transport system File

Seo, Seok Bin , Bang, In Cheol , Ninokata, Hisashi , Cammi, Antonio

Article Issue Date2021-09 View23
Choosing a density functional for modeling adsorptive hydrogen storage: Reference quantum mechanical calculations and a comparison of dispersion-corrected density functionals File

Kocman, Mikulas , Jurecka, Petr , Dubecky, Matus , Otyepka, Michal , Cho, Yeonchoo , Kim, Kwang S.

Article Issue Date2015-03 View24
Depletion chain optimization of lattice code STREAM for LWR fuel assembly burnup analysis File

Khang Hoang Nhat Nguyen , Choi, Sooyoung , Lemaire, Matthieu , Lee, Deokjung

Article Issue Date2019-01 View11
Description of ground and excited electronic states by ensemble density functional method with extended active space File

Filatov, Michael , Martínez, Todd J. , Kim, Kwang S.

Article Issue Date2017-08 View19
Pentagonal Bipyramid FeII Complexes: Robust Ising-Spin Units towards Heteropolynuclear Nanomagnets File

Bar, Arun Kumar , Gogoi, Nayanmoni , Pichon, Celine , Goli, V. M. L. Durga Prasad , Thlijeni, Mehrez , Duhayon, Carine , Suaud, Nicolas , Guihery, Nathalie , Barra, Anne-Laure , Ramasesha, S. , et al

Article Issue Date2017-03 View14
QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids File

Kim, Jeongnim , Baczewski, Andrew T. , Beaudet, Todd D. , Benali, Anouar , Bennett, M. Chandler , Berrill, Mark A. , Blunt, Nick S. , Josue, Edgar , Borda, Landinez , Casula, Michele , et al

Article Issue Date2018-05 View17
Stochastic evaluation of second-order Dyson self-energies File

Willow, Soohaeng Yoo , Kim, Kwang S. , Hirata, So

Article Issue Date2013-04 View18
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