Zobrazeno 1 - 10
of 66
pro vyhledávání: '"Kevorkyants, Ruslan"'
Autor:
Zhang, Xiangkai, Yan, Jie, Chen, Yen-Hsiang, Kevorkyants, Ruslan, Wen, Tongqi, Sun, Xun, Hu, Alice, Huang, J.C.
Publikováno v:
In International Journal of Plasticity July 2023 166
Publikováno v:
In Journal of Physics and Chemistry of Solids March 2022 162
Autor:
Kevorkyants, Ruslan1 (AUTHOR) ruslik642@hkqai.hk
Publikováno v:
Advanced Theory & Simulations. Jul2023, Vol. 6 Issue 7, p1-5. 5p.
We present a formally exact van der Waals inclusive electronic structure theory, called FDE-vdW, based on the Frozen Density Embedding formulation of subsystem Density-Functional Theory. In subsystem DFT, the energy functional is composed of subsyste
Externí odkaz:
http://arxiv.org/abs/1405.0258
Autor:
Selivanov, Nikita1 (AUTHOR), Kevorkyants, Ruslan2 (AUTHOR), Emeline, Alexei1 (AUTHOR) alexei.emeline@spbu.ru, Stoumpos, Constantinos C.1,3 (AUTHOR)
Publikováno v:
Materials (1996-1944). Jan2023, Vol. 16 Issue 1, p353. 13p.
Publikováno v:
v. 117, p.ASAP, y. 2013, Journal of Physical Chemistry B
We present an application of the linear scaling Frozen Density Embedding (FDE) formulation of subsystem DFT to the calculation of isotropic hyperfine coupling constants (hfccs) of atoms belonging to a guanine radical cation embedded in a guanine hydr
Externí odkaz:
http://arxiv.org/abs/1308.3134
Publikováno v:
In Applied Surface Science 1 May 2017 403:342-346
Akademický článek
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Publikováno v:
ETSU Faculty Works.
We present an application of the linear scaling frozen density embedding (FDE) formulation of subsystem DFT to the calculation of isotropic hyperfine coupling constants (hfcc's) of atoms belonging to a guanine radical cation embedded in a guanine hyd
Externí odkaz:
https://dc.etsu.edu/etsu-works/14161
Publikováno v:
ETSU Faculty Works.
We present an application of the linear scaling frozen density embedding (FDE) formulation of subsystem DFT to the calculation of isotropic hyperfine coupling constants (hfcc's) of atoms belonging to a guanine radical cation embedded in a guanine hyd
Externí odkaz:
https://dc.etsu.edu/etsu-works/14692