Zobrazeno 1 - 10
of 65
pro vyhledávání: '"Balawender, Robert"'
Autor:
Malek, Ali M., Balawender, Robert
Standard approximations for the exchange-correlation functional are known to deviate from linear dependence of the energy on the electron and spin numbers (in -space). Violation of this flat-plane condition underlies the failure of all known approxim
Externí odkaz:
http://arxiv.org/abs/1310.6918
Autor:
Balawender, Robert
In this work, the zero-temperature limit of the thermodynamic spin-density functional theory is investigated. The coarse-grained approach to the equilibrium density operator is used to describe the equilibrium state. The characteristic functions of a
Externí odkaz:
http://arxiv.org/abs/1212.1367
Autor:
Balawender, Robert, Holas, Andrzej
The formalism developed in the first paper of the series [arXiv:0901.1060] is applied to two thermodynamic systems: (i) of three global observables (the energy, the total electron number and the spin number), (ii) of one global observable (the intern
Externí odkaz:
http://arxiv.org/abs/0904.3990
Autor:
Balawender, Robert, Holas, Andrzej
A general formulation of the equilibrium state of a many-electron system in terms of a (mixed-state, ensemble) density matrix operator in the Fock space, based on the maximum entropy principle, is introduced. Various characteristic functions/function
Externí odkaz:
http://arxiv.org/abs/0901.1060
Autor:
Balawender, Robert, Geerlings, Paul
Publikováno v:
In Chemical Reactivity 2023:15-57
Akademický článek
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Autor:
Anderson, James S.M., Báez-Grez, Rodrigo, Balawender, Robert, Bandyopadhyay, Prasanta, Barrera, Yoshio, Cárdenas, Carlos, Deb, Jyotirmoy, De Proft, Frank, Deswal, Nidhi, Dua, Harkishan, Garza, Jorge, Geerlings, Paul, Grillo, Igor Barden, Grochala, Wojciech, Hamid, Aabid, Inostroza, Diego, Kaya, Savaş, Kryachko, Eugene S., Kuznetsov, Aleksey E., Landeros-Rivera, Bruno, Mojica-Sánchez, Juan Pablo, Moors, Samuel L.C., Nalewajski, Roman F., Pal, Sourav, Paul, Debolina, Pino-Rios, Ricardo, Rocha, Gerd Bruno, Roy, Ram Kinkar, Sánchez-Márquez, Jesús, Sarkar, Utpal, Seikh, Md. Motin, Stuyver, Thijs, Szarek, Paweł, Tiznado, William, Urquiza-Carvalho, Gabriel Aires, Van Lommel, Ruben, Vargas, Rubicelia, Viniegra, Margarita, Voityuk, Alexander A., von Szentpály, László, Vyboishchikov, Sergei F., Yañez, Osvaldo
Publikováno v:
In Chemical Reactivity 2023:xiii-xv
Autor:
Wierzbicki, Ryszard, Pawłowicz, Maria, Job, Józefa, Balawender, Robert, Kostarczyk, Wojciech, Stanuch, Maciej, Janc, Krzysztof, Skalski, Andrzej
Publikováno v:
Journal of Cancer Research & Clinical Oncology; Jan2022, Vol. 148 Issue 1, p237-243, 7p
Akademický článek
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Autor:
Geerlings, Paul, Fias, Stijn, Stuyver, Thijs, Ayers, Paul, Balawender, Robert, De Proft, Frank
An overview is given of our recent work on the linear response function (LRF) χ(r, r′) and its congener, the softness kernel s(r, r′), the second functional derivatives of the energy E and the grand potential Ω with respect to the external pote
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______2659::9a38876ef4d1e4b243b407f2816837c8
https://zenodo.org/record/2632004
https://zenodo.org/record/2632004