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C

Chad E. Hoyer

university of texas system

17H指数
47论文数
4.0K被引数
收录论文 21
发表时间
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Relativistic effects on atomic orbitals across the periodic table: insights from spin-separated Dirac-Coulomb-Breit Hamiltonian周期表中原子轨道的相对论效应：来自自旋分离的Dirac-Coulomb-Breit哈密顿量的见解
errPhysical Chemistry Chemical Physics
IF2.9
err2026-02-01
err0
PREAI
errHoyer, Chad E.; Holen, Kailey E.
err分享
err收藏
State Interaction for Relativistic Four-Component Methods: Choose the Right Zeroth-Order Hamiltonian for Late-Row Elements
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-09-10
err0
PREAI
errHoyer, Chad E.; Liao, Can; Shumilov, Kirill D.; Zhang, Tianyuan; Li, Xiaosong
err分享
err收藏
Crystal structure, electronic structure, and optical properties of Cu4ZnGe2S7 and Cu4CdGe2S7: Polar diamond-like semiconductors exhibiting second harmonic generationCu4ZnGe2S7和Cu4CdGe2S7的晶体结构，电子结构和光学性质: 具有二次谐波产生的极性类金刚石半导体
errJOURNAL OF ALLOYS AND COMPOUNDS
IF6.3
err2024-01-01
err4
errOAAI
errKelly, Jordan C.; Hoyer, Chad E.; Shin, Seung Han; Cho, Jeong Bin; Stoyko, Stanislav S.; Bonnoni, Allyson; Craig, Andrew J.; Rosello, Kate E.; O'Hara, Evan T.; Jang, Joon I.; Aitken, Jennifer A.
err分享
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational ChemistryOpenMolcas Web: 一种社区驱动的推进计算化学的方法
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-05-22
err127
errOAAI
errManni, Giovanni Li; Galvan, Ignacio Fdez.; Alavi, Ali; Aleotti, Flavia; Aquilante, Francesco; Autschbach, Jochen; Avagliano, Davide; Baiardi, Alberto; Bao, Jie J.; Battaglia, Stefano; Birnoschi, Letitia; Blanco-Gonzalez, Alejandro; Bokarev, Sergey I.; Broer, Ria; Cacciari, Roberto; Calio, Paul B.; Carlson, Rebecca K.; Couto, Rafael Carvalho; Cerdan, Luis; Chibotaru, Liviu F.; Chilton, Nicholas F.; Church, Jonathan Richard; Conti, Irene; Coriani, Sonia; Cuellar-Zuquin, Juliana; Daoud, Razan E.; Dattani, Nike; Decleva, Piero; de Graaf, Coen; Delcey, Mickael G.; De Vico, Luca; Dobrautz, Werner; Dong, Sijia S.; Feng, Rulin; Ferre, Nicolas; Filatov (Gulak), Michael; Gagliardi, Laura; Garavelli, Marco; Gonzalez, Leticia; Guan, Yafu; Guo, Meiyuan; Hennefarth, Matthew R.; Hermes, Matthew R.; Hoyer, Chad E.; Huix-Rotllant, Miquel; Jaiswal, Vishal Kumar; Kaiser, Andy; Kaliakin, Danil S.; Khamesian, Marjan; King, Daniel S.; Kochetov, Vladislav; Krosnicki, Marek; Kumaar, Arpit Arun; Larsson, Ernst D.; Lehtola, Susi; Lepetit, Marie-Bernadette; Lischka, Hans; Rios, Pablo Lopez; Lundberg, Marcus; Ma, Dongxia; Mai, Sebastian; Marquetand, Philipp; Merritt, Isabella C. D.; Montorsi, Francesco; Morchen, Maximilian; Nenov, Artur; Vu Ha Anh Nguyen; Nishimoto, Yoshio; Oakley, Meagan S.; Olivucci, Massimo; Oppel, Markus; Padula, Daniele; Pandharkar, Riddhish; Quan Manh Phung; Plasser, Felix; Raggi, Gerardo; Rebolini, Elisa; Reiher, Markus; Rivalta, Ivan; Roca-Sanjuan, Daniel; Romig, Thies; Safari, Arta Anushirwan; Sanchez-Mansilla, Aitor; Sand, Andrew M.; Schapiro, Igor; Scott, Thais R.; Segarra-Marti, Javier; Segatta, Francesco; Sergentu, Dumitru-Claudiu; Sharma, Prachi; Shepard, Ron; Shu, Yinan; Staab, Jakob K.; Straatsma, Tjerk P.; Sorensen, Lasse Kragh; Tenorio, Bruno Nunes Cabral; Truhlar, Donald G.; Ungur, Liviu; Vacher, Morgane; Veryazov, Valera; Voss, Torben Arne; Weser, Oskar; Wu, Dihua; Yang, Xuchun; Yarkony, David; Zhou, Chen; Zobel, J. Patrick; Lindh, Roland
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Correlated Dirac-Coulomb-Breit multiconfigurational self-consistent-field methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-01-23
err13
errOAAI
errHoyer, Chad E.; Lu, Lixin; Hu, Hang; Shumilov, Kirill D.; Sun, Shichao; Knecht, Stefan; Li, Xiaosong
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Phase-Controlled Synthesis and Quasi-Static Dielectric Resonances in Silver Iron Sulfide (AgFeS2) Nanocrystals
errSMALL
IF12.1
err2021-12-19
err6
PREAI
errLee, Soohyung; Hoyer, Chad E.; Liao, Can; Li, Xiaosong; Holmberg, Vincent C.
err分享
err收藏
Iron-Content-Dependent, Quasi-Static Dielectric Resonances and Oxidative Transitions in Bornite and Chalcopyrite Copper Iron Sulfide Nanocrystals
errCHEMISTRY OF MATERIALS
IF7
err2021-02-26
err21
PREAI
errLee, Soohyung; Ghosh, Sandeep; Hoyer, Chad E.; Liu, Hongbin; Li, Xiaosong; Holmberg, Vincent C.
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Relativistic two-component projection-based quantum embedding for open-shell systems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-09-04
err10
errOAAI
errHoyer, Chad E.; Li, Xiaosong
err分享
err收藏
OpenMolcas: From Source Code to Insight
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-09-11
err806
errOAAI
errGalvan, Ignacio Fdez; Vacher, Morgane; Alavi, Ali; Angeli, Celestino; Aquilante, Francesco; Autschbach, Jochen; Bao, Jie J.; Bokarev, Sergey I.; Bogdanov, Nikolay A.; Carlson, Rebecca K.; Chibotaru, Liviu F.; Creutzberg, Joel; Dattani, Nike; Delcey, Mickael G.; Dong, Sijia S.; Dreuw, Andreas; Freitag, Leon; Manuel Frutos, Luis; Gagliardi, Laura; Gendron, Frederic; Giussani, Angelo; Gonzalez, Leticia; Grell, Gilbert; Guo, Meiyuan; Hoyer, Chad E.; Johansson, Marcus; Keller, Sebastian; Knecht, Stefan; Kovacevic, Goran; Kallman, Erik; Li Manni, Giovanni; Lundberg, Marcus; Ma, Yingjin; Mai, Sebastian; Malhado, Joao Pedro; Malmqvist, Per Ake; Marquetand, Philipp; Mewes, Stefanie A.; Norell, Jesper; Olivucci, Massimo; Oppel, Markus; Quan Manh Phung; Pierloot, Kristine; Plasser, Felix; Reiher, Markus; Sand, Andrew M.; Schapiro, Igor; Sharma, Prachi; Stein, Christopher J.; Sorensen, Lasse Kragh; Truhlar, Donald G.; Ugandi, Mihkel; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Weser, Oskar; Wesolowski, Tomasz A.; Widmark, Per-Olof; Wouters, Sebastian; Zech, Alexander; Zobel, J. Patrick; Lindh, Roland
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err收藏
The Chronus Quantum software packageChronus量子软件包
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2019-09-10
err91
errOAAI
errWilliams-Young, David B.; Petrone, Alessio; Sun, Shichao; Stetina, Torin F.; Lestrange, Patrick; Hoyer, Chad E.; Nascimento, Daniel R.; Koulias, Lauren; Wildman, Andrew; Kasper, Joseph; Goings, Joshua J.; Ding, Feizhi; DePrince, A. Eugene, III; Valeev, Edward F.; Li, Xiaosong
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Embedding non-collinear two-component electronic structure in a collinear quantum environment
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-05-06
err9
errOAAI
errHoyer, Chad E.; Williams-Young, David B.; Huang, Chen; Li, Xiaosong
err分享
err收藏
State-interaction pair-density functional theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-07-13
err33
errOAAI
errSand, Andrew M.; Hoyer, Chad E.; Truhlar, Donald G.; Gagliardi, Laura
err分享
err收藏
Analytic Gradients for Complete Active Space Pair-Density Functional Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-12-26
err40
errOAAI
errSand, Andrew M.; Hoyer, Chad E.; Sharkas, Kamal; Kidder, Katherine M.; Lindh, Roland; Truhlar, Donald G.; Gagliard, Laura
err分享
err收藏
Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems
errACCOUNTS OF CHEMICAL RESEARCH
IF17.7
err2016-12-21
err265
PREAI
errGagliardi, Laura; Truhlar, Donald G.; Li Manni, Giovanni; Carlson, Rebecca K.; Hoyer, Chad E.; Bao, Junwei Lucas
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The DQ and DQΦ electronic structure diabatization methods: Validation for general applications
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-05-16
err49
errOAAI
errHoyer, Chad E.; Parker, Kelsey; Gagliardi, Laura; Truhlar, Donald G.
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Comment on Fe2: As simple as a Herculean labour. Neutral (Fe2), cationic (Fe2+), and anionic (Fe2-) species [J. Chem. Phys. 142, 244304 (2015)]
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-01-14
err3
errOAAI
errHoyer, Chad E.; Li Manni, Giovanni; Truhlar, Donald G.; Gagliardi, Laura
err分享
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Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic tableMolcas 8: 跨周期表的多构型量子化学计算的新功能
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2015-11-12
err1.3K
errOAAI
errAquilante, Francesco; Autschbach, Jochen; Carlson, Rebecca K.; Chibotaru, Liviu F.; Delcey, Mickael G.; De Vico, Luca; Galvan, Ignacio Fdez; Ferre, Nicolas; Frutos, Luis Manuel; Gagliardi, Laura; Garavelli, Marco; Giussani, Angelo; Hoyer, Chad E.; Li Manni, Giovanni; Lischka, Hans; Ma, Dongxia; Malmqvist, Per Ake; Mueller, Thomas; Nenov, Artur; Olivucci, Massimo; Pedersen, Thomas Bondo; Peng, Daoling; Plasser, Felix; Pritchard, Ben; Reiher, Markus; Rivalta, Ivan; Schapiro, Igor; Segarra-Marti, Javier; Stenrup, Michael; Truhlar, Donald G.; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Vysotskiy, Victor P.; Weingart, Oliver; Zapata, Felipe; Lindh, Roland
err分享
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Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-07-23
err56
PREAI
errGhosh, Soumen; Sonnenberger, Andrew L.; Hoyer, Chad E.; Truhlar, Donald G.; Gagliardi, Laura
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Controversial electronic structures and energies of Fe2, Fe2+, and Fe2- resolved by RASPT2 calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-11-26
err25
PREAI
errHoyer, Chad E.; Li Manni, Giovanni; Truhlar, Donald G.; Gagliardi, Laura
err分享
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Diabatization based on the dipole and quadrupole: The DQ method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-09-15
err66
PREAI
errHoyer, Chad E.; Xu, Xuefei; Ma, Dongxia; Gagliardi, Laura; Truhlar, Donald G.
err分享
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研究方向

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J
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M
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