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pro vyhledávání: '"Paris, Benjamin"'
Autor:
Milancovici, Speranţa Sofia
Publikováno v:
Studii de Ştiinţă şi Cultură / Studies of Science and Culture. VII(02):141-144
Externí odkaz:
https://www.ceeol.com/search/article-detail?id=101089
Autor:
Speranţa Sofia MILANCOVICI
Publikováno v:
Studii de Stiinta si Cultura, Vol VII, Iss 2 (25), Pp 141-144 (2011)
o. 14/ 2011 of the “Cahiers Benjamin Fondane”, published by the Benjamin Fondane Studies Society, offers the possibility of access, for the francophone reader, at the text of on interview published by Sarina Cassvan in the Romanian review “Ramp
Externí odkaz:
https://doaj.org/article/35697a840a1749189f5f2116ac82b965
Autor:
Fogarasi, György
Publikováno v:
Pannonhalmi Szemle / Review of Pannonhalma. (2):52-56
Externí odkaz:
https://www.ceeol.com/search/article-detail?id=23837
Autor:
Helmich-Paris, Benjamin
In this work, we present a one-step second-order converger for state-specific (SS) and state-averaged (SA) complete active space self-consistent field (CASSCF) wave functions. Robust convergence is achieved through step restrictions using a trust-reg
Externí odkaz:
http://arxiv.org/abs/2203.02049
Autor:
MILANCOVICI, Speranţa Sofia
Publikováno v:
Studii de Ştiintă şi Cultură; Jun2011, Vol. 7 Issue 2, p141-144, 4p
Autor:
Helmich-Paris, Benjamin
We present a trust-region augmented Hessian implementation (TRAH-SCF) for restricted and unrestricted Hartree-Fock and Kohn-Sham methods. With TRAH-SCF convergence can always be achieved with tight convergence thresholds, which requires just a modest
Externí odkaz:
http://arxiv.org/abs/2012.08306
Autor:
Helmich-Paris, Benjamin
In this work, two approaches for simulating X-ray absorption (XA) spectra with the complete active space self-consistent field (CASSCF) linear response (LR) method are introduced. The first approach employs the well-known core-valence separation (CVS
Externí odkaz:
http://arxiv.org/abs/2004.05845
Autor:
Saue, Trond, Bast, Radovan, Gomes, Andre Severo Pereira, Jensen, Hans Jørgen Aagaard, Visscher, Lucas, Aucar, Ignacio Agustın, Di Remigio, Roberto, Dyall, Kenneth G., Eliav, Ephraim, Faßhauer, Elke, Fleig, Timo, Halbert, Loıc, Hedegård, Erik Donovan, Helmich-Paris, Benjamin, Iliaš, Miroslav, Jacob, Christoph R., Knecht, Stefan, Laerdahl, Jon K, Vidal, Marta L., Nayak, Malaya K, Olejniczak, Małgorzata, Olsen, Jógvan Magnus Haugaard, Pernpointner, Markus, Senjean, Bruno, Shee, Avijit, Sunaga, Ayaki, van Stralen, Joost N. P.
Publikováno v:
J. Chem. Phys. 152 (2020) 204104 (JCP Special Topic on Electronic Structure Software)
DIRAC is a freely distributed general-purpose program system for 1-, 2- and 4-component relativistic molecular calculations at the level of Hartree--Fock, Kohn--Sham (including range-separated theory), multiconfigurational self-consistent-field, mult
Externí odkaz:
http://arxiv.org/abs/2002.06121
Akademický článek
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In the present article, we introduce the relativistic Cholesky-decomposed density (CDD) matrix second-order M{\o}ller-Plesset perturbation theory (MP2) energies. The working equations are formulated in terms of the usual intermediates of MP2 when emp
Externí odkaz:
http://arxiv.org/abs/1810.05232