Zobrazeno 1 - 10
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pro vyhledávání: '"HELLGREN, M."'
Publikováno v:
In International Journal of Obstetric Anesthesia August 2021 47
Autor:
Hellgren, M., Gross, E. K. U.
We present a detailed study of the exact-exchange (EXX) kernel of time-dependent density functional theory with an emphasis on its discontinuity at integer particle numbers. It was recently found that this exact property leads to sharp peaks and step
Externí odkaz:
http://arxiv.org/abs/1309.0783
Publikováno v:
Phys. Rev. A 88, 013414 (2013)
We show that quantum optimal control theory (OCT) and time-dependent density-functional theory (TDDFT) can be combined to provide realistic femtosecond laser pulses for an enhanced ionization yield in many-electron systems. Using the H$_2$-molecule a
Externí odkaz:
http://arxiv.org/abs/1309.0786
Autor:
Abramof, R, Alpenidze, D, Aronoff, S, Astamirova, K, Barker, B, Bedel, G, Belousova, L, Benson, M, Beshay, I, Biggs, W, Blaze, K, Bogdanski, P, Busch, R, Chaidarun, S, Chandran, S, Chang, A, Chilka, S, Cleland, A, Connery, L, Cornett, G, Delgado, B, Desouza, C, Donner, T, Eliasson, K, Eriksson, J, Folkerth, S, Forshaw, K, Frandsen, H A, Frolova, E, Gandy, W, Gatipon, G, Golovach, A, Gonzalez-Orozco, L, Gumprecht, J, Haddad, E, Hansen, T K, Hart, T, Hasan, S, Hella, B, Heller, S, Hellgren, M, Hewitt, M, Hietaniemi, S, Hitz, M, Houser, P, Huntley, R, Jackson, R, Jakobsen, P E, Kapoor, A, Kargina, L, Kazakova, E, Khan, K, Klein, E, Knoble, H, Krasnopeeva (Kabachkova), N, Krzeminski, A, Kunitsyna, M, Lawhead, J, Levin, K, Levin, P, Lewy-Alterbaum, L, Lindmark, S, Lindsay, R, Luts, A, Lysenko, T, Madsbad, S, Maxwell, T, Mbogua, C, Mcknight, J, Metsärinne, K, Milovanova, T, Morawski, E, Mosenzon, O, Nabriski, D, Nguyen, H, Nicol, P, Nieminen, S, Nikkola, A, Norwood, P, O'Donnell, P, Odugbesan, A, Parker, J, Pergaeva, Y, Peskov, A, Plevin, S, Pouzar, J, Pratley, R, Reed, J, Rossing, P, Sathyapalan, T, Sergeeva-Kondrachenko, M, Shaikh, Z, Shamkhalova, M, Shehadeh, N, Shlesinger, Y, Silver, R, Snyder, B, Soufer, J, Strand, J, Sulosaari, S, Tirosh, A, Traylor, H, Uhlenius, N, Vagapova, G, Yanovskaya, M, Zarutskaya, L, Zhdanova, E, Mosenzon, Ofri, Blicher, Thalia Marie, Rosenlund, Signe, Eriksson, Jan W, Heller, Simon, Hels, Ole Holm, Pratley, Richard, Sathyapalan, Thozhukat, Desouza, Cyrus
Publikováno v:
In The Lancet Diabetes & Endocrinology July 2019 7(7):515-527
Autor:
Hellgren, M., Gross, E. K. U.
We provide a new derivation of a formula for the Fukui function of density-functional chemical reactivity theory which incorporates the discontinuities in the Kohn-Sham reference system. Orbital relaxations are described in terms of the exchange-corr
Externí odkaz:
http://arxiv.org/abs/1202.5764
Publikováno v:
J. Chem. Phys. 136, 034106 (2012)
Self-consistent correlation potentials for H$_2$ and LiH for various inter-atomic separations are obtained within the random phase approximation (RPA) of density functional theory. The RPA correlation potential shows a peak at the bond midpoint, whic
Externí odkaz:
http://arxiv.org/abs/1110.6062
Autor:
Hellgren, M., Gross, E. K. U.
We identify the key property that the exchange-correlation (XC) kernel of time-dependent density functional theory must have in order to describe long-range charge-transfer excitations. We show that the discontinuity of the XC potential as a function
Externí odkaz:
http://arxiv.org/abs/1108.3100
Autor:
Hellgren, M., von Barth, U.
As part of a project to obtain better optical response functions for nano materials and other systems with strong excitonic effects we here calculate the exchange-correlation (XC) potential of density-functional theory (DFT) at a level of approximati
Externí odkaz:
http://arxiv.org/abs/cond-mat/0703819
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