نتائج البحث - "Harbach, Philipp H. P."

1

Academic Journal

The third-order algebraic diagrammatic construction method (ADC(3)) for the polarization propagator for closed-shell molecules: Efficient implementation and benchmarking.

المؤلفون: Harbach, Philipp H. P.¹, Wormit, Michael¹, Dreuw, Andreas¹ dreuw@uni-heidelberg.de

المصدر: Journal of Chemical Physics. 8/14/2014, Vol. 141 Issue 6, p1-17. 17p. 3 Diagrams, 6 Charts, 2 Graphs.

مصطلحات موضوعية: *TRIPLET state (Quantum mechanics), *QUANTUM perturbations, *POLARIZATION (Nuclear physics), *EXCITATION energy (In situ microanalysis), *OSCILLATOR strengths, *STANDARD deviations

2

Academic Journal

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

المؤلفون: Liu, Fenglai, Livshits, Ester, Lochan, Rohini C., Luenser, Arne, Manohar, Prashant, Manzer, Samuel F., Mao, Shan-Ping, Mardirossian, Narbe, Marenich, Aleksandr V., Maurer, Simon A., Mayhall, Nicholas J., Neuscamman, Eric, Oana, C. Melania, Olivares-Amaya, Roberto, O'Neill, Darragh P., Parkhill, John A., Perrine, Trilisa M., Peverati, Roberto, Prociuk, Alexander, Rehn, Dirk R., Rosta, Edina, Russ, Nicholas J., Sharada, Shaama M., Sharma, Sandeep, Small, David W., Sodt, Alexander, Stein, Tamar, Stueck, David, Su, Yu-Chuan, Thom, Alex J. W., Tsuchimochi, Takashi, Vanovschi, Vitalii, Vogt, Leslie, Vydrov, Oleg, Wang, Tao, Watson, Mark A., Wenzel, Jan, White, Alec, Williams, Christopher F., Yang, Jun, Yeganeh, Sina, Yost, Shane R., You, Zhi-Qiang, Zhang, Igor Ying, Zhang, Xing, Zhao, Yan, Brooks, Bernard R., Chan, Garnet K. L., Chipman, Daniel M., Cramer, Christopher J., Goddard, William A., Gordon, Mark S., Hehre, Warren J., Klamt, Andreas, Schaefer, Henry F., Schmidt, Michael W., Sherrill, C. David, Truhlar, Donald G., Warshel, Arieh, Xu, Xin, Aspuru-Guzik, Alan, Baer, Roi, Bell, Alexis T., Besley, Nicholas A., Chai, Jeng-Da, Dreuw, Andreas, Dunietz, Barry D., Furlani, Thomas R., Gwaltney, Steven R., Hsu, Chao-Ping, Jung, Yousung, Kong, Jing, Lambrecht, Daniel S., Liang, Wanzhen, Ochsenfeld, Christian, Rassolov, Vitaly A., Slipchenko, Lyudmila V., Subotnik, Joseph E., van Voorhis, Troy, Herbert, John M., Krylov, Anna I., Gill, Peter M. W., Head-Gordon, Martin, Shao, Yihan, Gan, Zhengting, Epifanovsky, Evgeny, Gilbert, Andrew T. B., Wormit, Michael, Kussmann, Joerg, Lange, Adrian W., Behn, Andrew, Deng, Jia, Feng, Xintian, Ghosh, Debashree, Goldey, Matthew, Horn, Paul R., Jacobson, Leif D., Kaliman, Ilya, Khaliullin, Rustam Z., Kus, Tomasz, Landau, Arie, Liu, Jie, Proynov, Emil I., Rhee, Young Min, Richard, Ryan M., Rohrdanz, Mary A., Steele, Ryan P., Sundstrom, Eric J., Woodcock, H. Lee, Zimmerman, Paul M., Zuev, Dmitry, Albrecht, Ben, Alguire, Ethan, Austin, Brian, Beran, Gregory J. O., Bernard, Yves A., Berquist, Eric, Brandhorst, Kai, Bravaya, Ksenia B., Brown, Shawn T., Casanova, David, Chang, Chun-Min, Chen, Yunqing, Chien, Siu Hung, Closser, Kristina D., Crittenden, Deborah L., Diedenhofen, Michael, Distasio, Robert A., Do, Hainam, Dutoi, Anthony D., Edgar, Richard G., Fatehi, Shervin, Fusti-Molnar, Laszlo, Ghysels, An, Golubeva-Zadorozhnaya, Anna, Gomes, Joseph, Hanson-Heine, Magnus W. D., Harbach, Philipp H. P., Hauser, Andreas W., Hohenstein, Edward G., Holden, Zachary C., Jagau, Thomas-C., Ji, Hyunjun, Kaduk, Benjamin, Khistyaev, Kirill, Kim, Jaehoon, Kim, Jihan, King, Rollin A., Klunzinger, Phil, Kosenkov, Dmytro, Kowalczyk, Tim, Krauter, Caroline M., Lao, Ka Un, Laurent, Adele D., Lawler, Keith V., Levchenko, Sergey V., Lin, Ching Yeh

المساهمون: Institut für Physikalische Chemie, Universität Mainz, Department of Chemistry Berkeley, University of California Berkeley (UC Berkeley), University of California (UC)-University of California (UC), China Earthquake Networks Center, China Earthquake Administration (CEA), University of Minnesota System (UMN), Department of Chemistry, Supercomputing Institute, and Chemical Theory Center, University of Minnesota Twin Cities (UMN), University of Minnesota System (UMN)-University of Minnesota System (UMN), COSMOlogic GmbH & Co KG, Institute of Physical and Theoretical Chemistry, Universität Regensburg (UR), Department of Chemistry, Minnesota Supercomputing Institute, and Chemical Theory Center, Franche-Comté Électronique Mécanique, Thermique et Optique - Sciences et Technologies (UMR 6174) (FEMTO-ST), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté COMUE (UBFC)-Université Bourgogne Franche-Comté COMUE (UBFC), University of Frankfurt, Department of Mathematics Shanghai, Shanghai Jiao Tong University Shanghai, Chemistry, Ludwig Maximilian University Munich = Ludwig Maximilians Universität München (LMU), Eberhard Karls Universität Tübingen = University of Tübingen, Chaire Sciences des Systèmes et Défis Energétiques EDF/ECP/Supélec (SSEC), Ecole Centrale Paris-Ecole Supérieure d'Electricité - SUPELEC (FRANCE)-CentraleSupélec-EDF R&D (EDF R&D), EDF (EDF)-EDF (EDF), Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology (KAIST), Chimie Et Interdisciplinarité : Synthèse, Analyse, Modélisation (CEISAM), Université de Nantes - UFR des Sciences et des Techniques (UN UFR ST), Université de Nantes (UN)-Université de Nantes (UN)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS)

المصدر: ISSN: 0026-8976.

مصطلحات موضوعية: quantum chemistry, electron correlation, electronic structure theory, Q-Chem, computational modelling, software, density functional theory, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

الاتاحة: https://hal.science/hal-01389004
https://doi.org/10.1080/00268976.2014.952696

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