Search Results - "Georgi, L. L"

Automatic Generation of Auxiliary Basis Sets by Stoychev, Georgi L, Auer, Alexander A, Neese, Frank

“…A procedure was developed to automatically generate auxiliary basis sets (ABSs) for use with the resolution of the identity (RI) approximation, starting from a…”
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Efficient and Accurate Prediction of Nuclear Magnetic Resonance Shielding Tensors with Double-Hybrid Density Functional Theory by Stoychev, Georgi L, Auer, Alexander A, Neese, Frank

“…Analytic calculation of nuclear magnetic resonance chemical shielding tensors, based on gauge-including atomic orbitals, is implemented for double-hybrid…”
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Self-Consistent Field Calculation of Nuclear Magnetic Resonance Chemical Shielding Constants Using Gauge-Including Atomic Orbitals and Approximate Two-Electron Integrals by Stoychev, Georgi L, Auer, Alexander A, Izsák, Róbert, Neese, Frank

“…The chain-of-spheres method (COS) for approximating two-electron integrals is applied to Hartree–Fock and density functional theory calculations of nuclear…”
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Scaling behavior of ultrafast two-color terahertz generation in plasma gas targets: energy and pressure dependence by Rodriguez, George, Dakovski, Georgi L

“…Ultrafast terahertz emission from two-color generated laser plasma gas targets is studied using air and the noble gases (neon, argon, krypton, and xenon) as…”
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High Level Electronic Structure Calculation of Molecular Solid-State NMR Shielding Constants by Poidevin, Corentin, Stoychev, Georgi L, Riplinger, Christoph, Auer, Alexander A

“…In this work, we present a quantum mechanics/molecular mechanics (QM/MM) approach for the computation of solid-state nuclear magnetic resonance (SS-NMR)…”
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Computation of NMR Shielding Constants for Solids Using an Embedded Cluster Approach with DFT, Double-Hybrid DFT, and MP2 by Dittmer, Anneke, Stoychev, Georgi L, Maganas, Dimitrios, Auer, Alexander A, Neese, Frank

“…In this work, we explore the accuracy of post-Hartree–Fock (HF) methods and double-hybrid density functional theory (DFT) for the computation of solid-state…”
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Hepatitis E Virus in Domestic Ruminants and Virus Excretion in Milk-A Potential Source of Zoonotic HEV Infection by Zahmanova, Gergana, Takova, Katerina, Lukov, Georgi L, Andonov, Anton

“…The hepatitis E virus is a serious health concern worldwide, with 20 million cases each year. Growing numbers of autochthonous HEV infections in industrialized…”
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Femtosecond X-ray induced changes of the electronic and magnetic response of solids from electron redistribution by Higley, Daniel J., Reid, Alex H., Chen, Zhao, Guyader, Loïc Le, Hellwig, Olav, Lutman, Alberto A., Liu, Tianmin, Shafer, Padraic, Chase, Tyler, Dakovski, Georgi L., Mitra, Ankush, Yuan, Edwin, Schlappa, Justine, Dürr, Hermann A., Schlotter, William F., Stöhr, Joachim

“…Resonant X-ray absorption, where an X-ray photon excites a core electron into an unoccupied valence state, is an essential process in many standard X-ray…”
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Using photoelectron spectroscopy to measure resonant inelastic X‐ray scattering: a computational investigation by Higley, Daniel J., Ogasawara, Hirohito, Zohar, Sioan, Dakovski, Georgi L.

“…Resonant inelastic X‐ray scattering (RIXS) has become an important scientific tool. Nonetheless, conventional high‐resolution (few hundred meV or less) RIXS…”
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The Plant Viruses and Molecular Farming: How Beneficial They Might Be for Human and Animal Health? by Zahmanova, Gergana, Aljabali, Alaa A, Takova, Katerina, Toneva, Valentina, Tambuwala, Murtaza M, Andonov, Anton P, Lukov, Georgi L, Minkov, Ivan

“…Plant viruses have traditionally been studied as pathogens in the context of understanding the molecular and cellular mechanisms of a particular disease…”
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The orphan nuclear receptor Nurr1 restricts the proliferation of haematopoietic stem cells by Goodell, Margaret A, Sirin, Olga, Lukov, Georgi L, Mao, Rui, Conneely, Orla M

“…Successful haematopoiesis requires long-term retention of haematopoietic stem cells (HSCs) in a quiescent state. The transcriptional regulation of stem cell…”
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Publisher Correction: Cyto-molecular characterization of rDNA and chromatin composition in the NOR-associated satellite in Chestnut (Castanea spp.) by Islam-Faridi, Nurul, Hodnett, George L., Zhebentyayeva, Tetyana, Georgi, Laura L., Sisco, Paul H., Hebard, Frederick V., Nelson, C. Dana

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Polarization control in an X-ray free-electron laser by Lutman, Alberto A., MacArthur, James P., Ilchen, Markus, Lindahl, Anton O., Buck, Jens, Coffee, Ryan N., Dakovski, Georgi L., Dammann, Lars, Ding, Yuantao, Dürr, Hermann A., Glaser, Leif, Grünert, Jan, Hartmann, Gregor, Hartmann, Nick, Higley, Daniel, Hirsch, Konstantin, Levashov, Yurii I., Marinelli, Agostino, Maxwell, Tim, Mitra, Ankush, Moeller, Stefan, Osipov, Timur, Peters, Franz, Planas, Marc, Shevchuk, Ivan, Schlotter, William F., Scholz, Frank, Seltmann, Jörn, Viefhaus, Jens, Walter, Peter, Wolf, Zachary R., Huang, Zhirong, Nuhn, Heinz-Dieter

“…X-ray free-electron lasers are unique sources of high-brightness coherent radiation. However, existing devices supply only linearly polarized light, precluding…”
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Cyto-molecular characterization of rDNA and chromatin composition in the NOR-associated satellite in Chestnut (Castanea spp.) by Islam-Faridi, Nurul, Hodnett, George L., Zhebentyayeva, Tetyana, Georgi, Laura L., Sisco, Paul H., Hebard, Frederick V., Nelson, C. Dana

“…The American chestnut ( Castanea dentata , 2 n  = 2 x  = 24), once known as the “King of the Appalachian Forest”, was decimated by chestnut blight during the…”
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Indirect excitation of ultrafast demagnetization by Vodungbo, Boris, Tudu, Bharati, Perron, Jonathan, Delaunay, Renaud, Müller, Leonard, Berntsen, Magnus H., Grübel, Gerhard, Malinowski, Grégory, Weier, Christian, Gautier, Julien, Lambert, Guillaume, Zeitoun, Philippe, Gutt, Christian, Jal, Emmanuelle, Reid, Alexander H., Granitzka, Patrick W., Jaouen, Nicolas, Dakovski, Georgi L., Moeller, Stefan, Minitti, Michael P., Mitra, Ankush, Carron, Sebastian, Pfau, Bastian, von Korff Schmising, Clemens, Schneider, Michael, Eisebitt, Stefan, Lüning, Jan

“…Does the excitation of ultrafast magnetization require direct interaction between the photons of the optical pump pulse and the magnetic layer? Here, we…”
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Plant-Derived Recombinant Vaccines against Zoonotic Viruses by Zahmanova, Gergana, Takova, Katerina, Valkova, Rumyana, Toneva, Valentina, Minkov, Ivan, Andonov, Anton, Lukov, Georgi L

“…Emerging and re-emerging zoonotic diseases cause serious illness with billions of cases, and millions of deaths. The most effective way to restrict the spread…”
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Magnetic Switching in Granular FePt Layers Promoted by Near-Field Laser Enhancement by Granitzka, Patrick W, Jal, Emmanuelle, Le Guyader, Loïc, Savoini, Matteo, Higley, Daniel J, Liu, Tianmin, Chen, Zhao, Chase, Tyler, Ohldag, Hendrik, Dakovski, Georgi L, Schlotter, William F, Carron, Sebastian, Hoffman, Matthias C, Gray, Alexander X, Shafer, Padraic, Arenholz, Elke, Hellwig, Olav, Mehta, Virat, Takahashi, Yukiko K, Wang, Jian, Fullerton, Eric E, Stöhr, Joachim, Reid, Alexander H, Dürr, Hermann A

“…Light-matter interaction at the nanoscale in magnetic materials is a topic of intense research in view of potential applications in next-generation…”
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Following Metal-to-Ligand Charge-Transfer Dynamics with Ligand and Spin Specificity Using Femtosecond Resonant Inelastic X‑ray Scattering at the Nitrogen K‑Edge by Jay, Raphael M., Eckert, Sebastian, Van Kuiken, Benjamin E., Ochmann, Miguel, Hantschmann, Markus, Cordones, Amy A., Cho, Hana, Hong, Kiryong, Ma, Rory, Lee, Jae Hyuk, Dakovski, Georgi L., Turner, Joshua J., Minitti, Michael P., Quevedo, Wilson, Pietzsch, Annette, Beye, Martin, Kim, Tae Kyu, Schoenlein, Robert W., Wernet, Philippe, Föhlisch, Alexander, Huse, Nils

“…We demonstrate for the case of photoexcited [Ru­(2,2′-bipyridine)3]2+ how femtosecond resonant inelastic X-ray scattering (RIXS) at the ligand K-edge allows…”
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A case study of density functional theory and domain-based local pair natural orbital coupled cluster for vibrational effects on EPR hyperfine coupling constants: vibrational perturbation theory versus ab initio molecular dynamics by Auer, Alexander A., Tran, Van Anh, Sharma, Bikramjit, Stoychev, Georgi L., Marx, Dominik, Neese, Frank

“…Local approximations of high-level ab initio methods make superior accuracy in the computation of molecular properties accessible by drastically decreasing…”
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Orbital-selective time-domain signature of nematicity dynamics in the charge-density-wave phase of La1.65Eu0.2Sr0.15CuO4 by Bluschke, Martin, Gupta, Naman K, Jang, Hoyoung, Husain, Ali A, Lee, Byungjune, Kim, Minjune, Na, Mengxing, Dos Remedios, Brandon, Smit, Steef, Moen, Peter, Park, Sang-Youn, Kim, Minseok, Jang, Dogeun, Choi, Hyeongi, Sutarto, Ronny, Reid, Alexander H, Dakovski, Georgi L, Coslovich, Giacomo, Nguyen, Quynh L, Burdet, Nicolas G, Lin, Ming-Fu, Revcolevschi, Alexandre, Park, Jae-Hoon, Geck, Jochen, Turner, Joshua J, Damascelli, Andrea, Hawthorn, David G

“…Understanding the interplay between charge, nematic, and structural ordering tendencies in cuprate superconductors is critical to unraveling their complex…”
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