Zobrazeno 1 - 10
of 2 115
pro vyhledávání: '"Piris, P."'
Autor:
Franco, L., Bonfil-Rivera, I. A., Lew-Yee, J. F. Huan, Piris, M., del Campo, J. M., Vargas-Hernández, R. A.
Publikováno v:
J. Chem. Phys. 160, 244107 (2024)
Within the framework of natural orbital functional theory, having a convenient representation of the occupation numbers and orbitals becomes critical for the computational performance of the calculations. Recognizing this, we propose an innovative pa
Externí odkaz:
http://arxiv.org/abs/2403.09463
Autor:
Mitxelena, Ion, Piris, Mario
In the past decade, natural orbital functional (NOF) approximations have emerged as prominent tools for characterizing electron correlation. Despite their effectiveness, these approaches, which rely on natural orbitals and their associated occupation
Externí odkaz:
http://arxiv.org/abs/2403.03554
Autor:
Colpi, Monica, Danzmann, Karsten, Hewitson, Martin, Holley-Bockelmann, Kelly, Jetzer, Philippe, Nelemans, Gijs, Petiteau, Antoine, Shoemaker, David, Sopuerta, Carlos, Stebbins, Robin, Tanvir, Nial, Ward, Henry, Weber, William Joseph, Thorpe, Ira, Daurskikh, Anna, Deep, Atul, Núñez, Ignacio Fernández, Marirrodriga, César García, Gehler, Martin, Halain, Jean-Philippe, Jennrich, Oliver, Lammers, Uwe, Larrañaga, Jonan, Lieser, Maike, Lützgendorf, Nora, Martens, Waldemar, Mondin, Linda, Niño, Ana Piris, Amaro-Seoane, Pau, Sedda, Manuel Arca, Auclair, Pierre, Babak, Stanislav, Baghi, Quentin, Baibhav, Vishal, Baker, Tessa, Bayle, Jean-Baptiste, Berry, Christopher, Berti, Emanuele, Boileau, Guillaume, Bonetti, Matteo, Brito, Richard, Buscicchio, Riccardo, Calcagni, Gianluca, Capelo, Pedro R., Caprini, Chiara, Caputo, Andrea, Castelli, Eleonora, Chen, Hsin-Yu, Chen, Xian, Chua, Alvin, Davies, Gareth, Derdzinski, Andrea, Domcke, Valerie Fiona, Doneva, Daniela, Dvorkin, Irna, Ezquiaga, Jose María, Gair, Jonathan, Haiman, Zoltan, Harry, Ian, Hartwig, Olaf, Hees, Aurelien, Heffernan, Anna, Husa, Sascha, Izquierdo, David, Karnesis, Nikolaos, Klein, Antoine, Korol, Valeriya, Korsakova, Natalia, Kupfer, Thomas, Laghi, Danny, Lamberts, Astrid, Larson, Shane, Jeune, Maude Le, Lewicki, Marek, Littenberg, Tyson, Madge, Eric, Mangiagli, Alberto, Marsat, Sylvain, Vilchez, Ivan Martin, Maselli, Andrea, Mathews, Josh, van de Meent, Maarten, Muratore, Martina, Nardini, Germano, Pani, Paolo, Peloso, Marco, Pieroni, Mauro, Pound, Adam, Quelquejay-Leclere, Hippolyte, Ricciardone, Angelo, Rossi, Elena Maria, Sartirana, Andrea, Savalle, Etienne, Sberna, Laura, Sesana, Alberto, Shoemaker, Deirdre, Slutsky, Jacob, Sotiriou, Thomas, Speri, Lorenzo, Staab, Martin, Steer, Danièle, Tamanini, Nicola, Tasinato, Gianmassimo, Torrado, Jesus, Torres-Orjuela, Alejandro, Toubiana, Alexandre, Vallisneri, Michele, Vecchio, Alberto, Volonteri, Marta, Yagi, Kent, Zwick, Lorenz
The Laser Interferometer Space Antenna (LISA) is the first scientific endeavour to detect and study gravitational waves from space. LISA will survey the sky for Gravitational Waves in the 0.1 mHz to 1 Hz frequency band which will enable the study of
Externí odkaz:
http://arxiv.org/abs/2402.07571
Autor:
Piris, Mario
This chapter provides a comprehensive review of fundamental concepts related to approximate natural orbital functionals (NOFs), emphasizing their significance in quantum chemistry and physics. Focusing on fermions, the discussion excludes considerati
Externí odkaz:
http://arxiv.org/abs/2312.07163
In this work, we extend the Piris natural orbital functionals (PNOFs) to excited states by coupling their reconstructed second-order reduced density matrices with the extended random-phase approximation (ERPA). We have named the general implementatio
Externí odkaz:
http://arxiv.org/abs/2311.05504
This work combines for the first time ab initio molecular dynamics (AIMD) within the Born-Oppenheimer approximation, with a global natural orbital functional (GNOF), an approximate functional of the one-particle reduced density matrix. The most promi
Externí odkaz:
http://arxiv.org/abs/2311.04802
Financial experts and analysts seek to predict the variability of financial markets. In particular, the correct prediction of this variability ensures investors successful investments. However, there has been a big trend in finance in the last years,
Externí odkaz:
http://arxiv.org/abs/2303.01485
The relative stability of the singlet, triplet, and quintet spin states of Iron(II) porphyrin (FeP) represents a challenging problem for electronic structure methods. While it is currently accepted that the ground state is a triplet, multiconfigurati
Externí odkaz:
http://arxiv.org/abs/2212.01640
This work assesses the performance of the recently proposed global natural orbital functional (GNOF) against the charge delocalization error. GNOF provides a good balance between static and dynamic electronic correlation leading to accurate total ene
Externí odkaz:
http://arxiv.org/abs/2212.01597
Autor:
Alexia Mirandola, Andrei Kudriavtsev, Catalina Isabel Cofre Muñoz, Raquel Comas Navarro, Marco Macagno, Saidi Daoud, Cynthia Sanchez, Brice Pastor, Ekaterina Pisareva, Mireia Sanchis Marin, Javier Gonzalo Ruiz, Alejandro Piris, Ariadna Garcia Rodriguez, Nadia Saoudi Gonzalez, Ana Vivancos, Virginia Quarà, Alfredo Mellano, Felice Borghi, Giorgio Corti, Caterina Marchiò, Anna Sapino, Alice Bartolini, Giovanni Crisafulli, Alberto Bardelli, Massimo Di Maio, Gerald Lossaint, Florence Frayssinoux, Evelyne Crapez, Marc Ychou, Ramon Salazar Soler, Elisabetta Fenocchio, Paula X. Fernandez Calotti, Thibault Mazard, Cristina Santos Vivas, Elena Elez, Federica Di Nicolantonio, Alain R. Thierry
Publikováno v:
EBioMedicine, Vol 108, Iss , Pp 105352- (2024)
Summary: Background: We studied the poorly-known dynamics of circulating DNA (cir-nDNA), as monitored prospectively over an extended post-surgery period, in patients with cancer. Methods: On patients with stage III colon cancer (N = 120), using perso
Externí odkaz:
https://doaj.org/article/00bd9725b0694cf5a6a8cd91ec3b094f
