Direct determination of optimal real-space orbitals for correlated electronic structure of molecules

Autor: Valeev, Edward F., Holmes, Robert J. Harrison. Adam A., Peterson, Charles C., Penchoff, Deborah A.

Publikováno v: J. Chem. Theory Comput. 19 (2023) 7230-7241

We demonstrate how to determine numerically nearly exact orthonormal orbitals that are optimal for evaluation of the energy of arbitrary (correlated) states of atoms and molecules by minimization of the energy Lagrangian. Orbitals are expressed in re

Externí odkaz: http://arxiv.org/abs/2207.10841

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The Pan-STARRS Moving Object Processing System

Autor: Denneau, Larry, Jedicke, Robert, Grav, Tommy, Granvik, Mikael, Kubica, Jeremy, Milani, Andrea, Veres, Peter, Wainscoat, Richard, Chang, Daniel, Pierfederici, Francesco, Kaiser, N., Chambers, K. C., Heasley, J. N., Magnier, Eugene. A., Price, P. A., Myers, Jonathan, Kleyna, Jan, Hsieh, Henry, Farnocchia, Davide, Waters, Chris, Sweeney, W. H., Green, Denver, Bolin, Bryce, Burgett, W. S., Morgan, J. S., Tonry, John L., Hodapp, K. W., Chastel, Serge, Chesley, Steve, Fitzsimmons, Alan, Holman, Matthew, Spahr, Tim, Tholen, David, Williams, Gareth V., Abe, Shinsuke, Armstrong, J. D., Bressi, Terry H., Holmes, Robert, Lister, Tim, McMillan, Robert S., Micheli, Marco, Ryan, Eileen V., Ryan, William H., Scotti, James V.

We describe the Pan-STARRS Moving Object Processing System (MOPS), a modern software package that produces automatic asteroid discoveries and identifications from catalogs of transient detections from next-generation astronomical survey telescopes. M

Externí odkaz: http://arxiv.org/abs/1302.7281

Efficacy and safety of 48 weeks of guselkumab for patients with Crohn's disease: maintenance results from the phase 2, randomised, double-blind GALAXI-1 trial

Autor: Danese, Silvio, Panaccione, Remo, Feagan, Brian G, Afzali, Anita, Rubin, David T, Sands, Bruce E, Reinisch, Walter, Panés, Julián, Sahoo, Aparna, Terry, Natalie A, Chan, Daphne, Han, Chenglong, Frustaci, Mary Ellen, Yang, Zijiang, Sandborn, William J, Hisamatsu, Tadakazu, Andrews, Jane M, D'Haens, Geert R, Oliinyk, Oleksandr, Bilianskyi, Leonid, Gniady-Jastrzebska, Jadwiga, Petryka, Robert, Arlukowicz, Tomasz, Gietka, Piotr, Zmudzinski, Marcin, Mumtaz, Syed, Wolf, Douglas, Wojcik, Katarzyna, Duvall, George, Augustyn, Monika, Filip, Rafal, Tarabar, Dino, Tkachev, Alexander, Seidler, Ursula, Zittan, Eran, Pokrotnieks, Juris, Shchukina, Oksana, Machavariani, Andro, Loy, Laura, Abu-farsakh, Niazy, Marina, Pesegova, Sreckovic, Slobodan, Laclav, Martin, Wei, Shu-Chen, Suiter, Daniel, Borsuk, Aleksey, Hebuterne, Xavier, Buning, Carsten, Lahat-Zok, Adi, Danilkiewicz, Wit, Frysna, Bernadetta, Jovicic, Ivana, Datsenko, Olena, Guram, Maninder, Jain, Animesh, Rashid, Zahid, Heeren, Sonja, Shulga, Natallia, Timkin, Ivan, Gornjakovic, Srdjan, Lukas, Milan, Altwegg, Romain, Desjeux, Ariadne, Reimund, Jean-Marie, Giorgadze, Manana, Jochum, Christoph, Ito, Hiroaki, Nakai, Katsuhiko, Takagi, Tomohisa, Zaha, Osamu, Choi, Changhwan, Kim, Taeoh, Lee, Jonghun, Stundiene, Ieva, Hilmi, Ida Normiha, Hj Md Said, Rosaida, Leszczyszyn, Jaroslaw, Abdulganieva, Diana, Fominykh, Yulia, Maksyashina, Svetlana, Balaz, Jozef, Van Domselaar, Manuel, Kav, Taylan, Dennis, Patrick, Henry, Patricia, Holmes, Robert, Johnson, Christopher, McBride, Matthew, Sarles, Harry, Moore, Gregory, Yakubtsevich, Ruslan, Muls, Vinciane, Trbojevic, Stevan, Afif, Waqqas, Bernstein, Charles, Klarin, Ivo, Serclova, Zuzana, Volfova, Miroslava, Desreumaux, Pierre, Gilletta de Saint Joseph, Cyrielle, Roblin, Xavier, Vuitton, Lucine, Chelidze, Kakhaber, Kuehbacher, Tanja, Koutroubakis, Ioannis, Cicala, Michele, Fries, Walter, Gasbarrini, Antonio, Aoyama, Nobuo, Hayashi, Yoshito, Hirai, Fumihito, Horiki, Norkiyuki, Hoshi, Namiko, Inaba, Tomoki, Hiroyasu, Ishida, Maemoto, Atsuo, Matsumoto, Takayuki, Matsushima, Kayoko, Motoya, Satoshi, Taruishi, Masaki, Rashid, Mohammed, Chun, Jaeyoung, Kim, Young-Ho, Park, Dong Il, Sharara, Ala, Jonaitis, Laimas, Deriban, Gjorgi, Brooker, James, Gawdis-Wojnarska, Beata, Wozniak-Stolarska, Barbara, Andreev, Pavel, Simanenkov, Vladimir, Trofimov, Vasiliy, Jovanovic, Igor, Zdravkovic, Natasa, Aldeguer i Mante, Xavier, Hernandez Ramirez, Vicent, Akpinar, Hale, Celebi, Gurkan, Hamzaoglu, Hulya, Fernandez, Juan, Kamath, Jayaprakash, Palekar, Nicole, Pruthi, Jatinder S., Rausher, David, Ritter, Timothy

Publikováno v: The Lancet Gastroenterology & Hepatology; February 2024, Vol. 9 Issue: 2 p133-146, 14p