Zobrazeno 1 - 10
of 47
pro vyhledávání: '"Kohut, Sviataslau V"'
Publikováno v:
Phys. Rev. Lett. 115 (2015) 083001
A method for calculating the Kohn--Sham exchange-correlation potential, $v_\text{XC}(\mathbf{r})$, from a given electronic wavefunction is devised and implemented. It requires on input one- and two-electron density matrices and involves construction
Externí odkaz:
http://arxiv.org/abs/1507.04565
Publikováno v:
In Thermochimica Acta April 2020 686
Autor:
Kabo, Gennady J., Paulechka, Yauheni U., Voitkevich, Olga V., Blokhin, Andrey V., Stepurko, Elena N., Kohut, Sviataslau V., Voznyi, Yakov V.
Publikováno v:
In The Journal of Chemical Thermodynamics June 2015 85:101-110
Autor:
Stepurko, Еlena N., Paulechka, Yauheni U., Blokhin, Andrey V., Kabo, Gennady J., Voitekhovich, Sergei V., Lyakhov, Alexander S., Kohut, Sviataslau V., Kazarovets, Tatiana E.
Publikováno v:
In Thermochimica Acta 20 September 2014 592:10-17
Autor:
Blokhin, Andrey V., Kohut, Sviataslau V., Kabo, Gennady J., Stepurko, Elena N., Paulechka, Yauheni U., Voitkevich, Olga V.
Publikováno v:
In Thermochimica Acta 10 August 2013 565:221-226
Autor:
Kabo, Gennady J., Voitkevich, Olga V., Blokhin, Andrey V., Kohut, Sviataslau V., Stepurko, Elena N., Paulechka, Yauheni U.
Publikováno v:
In The Journal of Chemical Thermodynamics April 2013 59:87-93
Publikováno v:
In Thermochimica Acta 2010 511(1):119-123
Publikováno v:
Journal of Chemical Physics; 2016, Vol. 145 Issue 7, p1-6, 6p, 5 Graphs
Publikováno v:
Journal of Chemical Physics; 5/14/2014, Vol. 140 Issue 18, p18A535-1-18A535-10, 10p
Autor:
Kohut, Sviataslau V
Publikováno v:
Electronic Thesis and Dissertation Repository
Practical Kohn–Sham density-functional calculations require approximations to the exchange-correlation energy functional, EXC[ρ], or the exchange-correlation potential, vXC(r), defined as the functional derivative of EXC[ρ] with respect to the el
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______1548::e6fb0373dea541e8521c1e194d5bbab7
https://ir.lib.uwo.ca/etd/4797
https://ir.lib.uwo.ca/etd/4797