المؤلفون: Epifanovsky, E, Gilbert, ATB, Feng, X, Lee, J, Mao, Y, Mardirossian, N, Pokhilko, P, White, AF, Coons, MP, Dempwolff, AL, Gan, Z, Hait, D, Horn, PR, Jacobson, LD, Kaliman, I, Kussmann, J, Lange, AW, Lao, KU, Levine, DS, Liu, J, McKenzie, SC, Morrison, AF, Nanda, KD, Plasser, F, Rehn, DR, Vidal, ML, You, Z-Q, Zhu, Y, Alam, B, Albrecht, BJ, Aldossary, A, Alguire, E, Andersen, JH, Athavale, V, Barton, D, Begam, K, Behn, A, Bellonzi, N, Bernard, YA, Berquist, EJ, Burton, HGA, Carreras, A, Carter-Fenk, K, Chakraborty, R, Chien, AD, Closser, KD, Cofer-Shabica, V, Dasgupta, S, de Wergifosse, M, Deng, J, al., Et

Relation: https://ora.ox.ac.uk/objects/uuid:204d34bc-d34a-4955-bdb9-0402fdfb3fc2; https://doi.org/10.1063/5.0055522

الاتاحة: https://doi.org/10.1063/5.0055522
https://ora.ox.ac.uk/objects/uuid:204d34bc-d34a-4955-bdb9-0402fdfb3fc2

المؤلفون: Shao, Y, Gan, Z, Epifanovsky, E, Gilbert, ATB, Wormit, M, Kussmann, J, Lange, AW, Behn, A, Deng, J, Feng, X, Ghosh, D, Goldey, M, Horn, PR, Jacobson, LD, Kaliman, I, Khaliullin, RZ, Kus̈, T, Landau, A, Liu, J, Proynov, EI, Rhee, YM, Richard, RM, Rohrdanz, MA, Steele, RP, Sundstrom, EJ, Woodcock, HL, Zimmerman, PM, Zuev, D, Albrecht, B, Alguire, E, Austin, B, Beran, GJO, Bernard, YA, Berquist, E, Brandhorst, K, Bravaya, KB, Brown, ST, Casanova, D, Chang, CM, Chen, Y, Chien, SH, Closser, KD, Crittenden, DL, Diedenhofen, M, Distasio, RA, Do, H, Dutoi, AD, Edgar, RG, Fatehi, S, Fusti-Molnar, L, Ghysels, A, Golubeva-Zadorozhnaya, A, Gomes, J, Hanson-Heine, MWD, Harbach, PHP, Hauser, AW, Hohenstein, EG, Holden, ZC, Jagau, TC, Ji, H, Kaduk, B, Khistyaev, K, Kim, J, King, RA, Klunzinger, P, Kosenkov, D, Kowalczyk, T, Krauter, CM, Lao, KU, Laurent, AD, Lawler, KV, Levchenko, SV, Lin, CY, Liu, F, Livshits, E, Lochan, RC, Luenser, A, Manohar, P, Manzer, SF, Mao, SP, Mardirossian, N, Marenich, AV, Maurer, SA, Mayhall, NJ, Neuscamman, E, Oana, CM, Olivares-Amaya, R, Oneill, DP, Parkhill, JA, Perrine, TM, Peverati, R, Prociuk, A, Rehn, DR, Rosta, E, Russ, NJ, Sharada, SM, Sharma, S, Small, DW, Sodt, A

المصدر: Molecular Physics. 113(2)

مصطلحات موضوعية: quantum chemistry, electron correlation, electronic structure theory, Q-Chem, computational modelling, software, density functional theory, Chemical Physics, Atomic, Molecular, Nuclear, Particle and Plasma Physics, Physical Chemistry, Theoretical and Computational Chemistry, Atomic, Molecular, Nuclear, Particle and Plasma Physics, Physical Chemistry (incl. Structural)

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/9wn3w79b

المؤلفون: Gel'mukhanov F, Couto RC, Pietzsch A, da Cruz VV, Agren H, Polyutov S, Rehn DR, Savchenko V, Norman P, Eckert S, Fedotov DA, Jay RM, Odelius M, Schmitt T, Fohlisch A, Niskanen J, Fondell M, Ignatova N, Kimberg V

المساهمون: materiaalitutkimuksen laboratorio, Materials Research Laboratory, 2606706

Relation: 150; ARTN 234301; Journal of Chemical Physics; 23; https://www.utupub.fi/handle/10024/163158; URN:NBN:fi-fe2021042821446

الاتاحة: https://www.utupub.fi/handle/10024/163158
https://aip.scitation.org/doi/10.1063/1.5092174

المؤلفون: Rhee, YM, Richard, RM, Rohrdanz, MA, Steele, RP, Sundstrom, EJ, Woodcock, HL, Zimmerman, PM, Zuev, D, Albrecht, B, Alguire, E, Austin, B, Beran, GJO, Bernard, YA, Berquist, E, Brandhorst, K, Bravaya, KB, Brown, ST, Casanova, D, Chang, CM, Chen, Y, Chien, SH, Closser, KD, Crittenden, DL, Diedenhofen, M, Distasio, RA, Do, H, Dutoi, AD, Edgar, RG, Fatehi, S, Fusti-Molnar, L, Ghysels, A, Golubeva-Zadorozhnaya, A, Gomes, J, Hanson-Heine, MWD, Harbach, PHP, Hauser, AW, Hohenstein, EG, Holden, ZC, Jagau, TC, Ji, H, Kaduk, B, Stein, T, Khistyaev, K, Kim, J, King, RA, Klunzinger, P, Ghosh, D, Feng, X, Deng, J, Behn, A, Kosenkov, D, Kowalczyk, T, Krauter, CM, Lange, AW, Kussmann, J, Wormit, M, Gilbert, ATB, Epifanovsky, E, Gan, Z, Shao, Y, Livshits, E, Laurent, AD, Lawler, KV, Levchenko, SV, Lin, CY, Liu, F, Lao, KU, Sodt, A, Small, DW, Sharma, S, Sharada, SM, Russ, NJ, Rosta, E, Rehn, DR, Prociuk, A, Peverati, R, Perrine, TM, Parkhill, JA, Oneill, DP, Olivares-Amaya, R, Oana, CM, Neuscamman, E, Mayhall, NJ, Maurer, SA, Marenich, AV, Mardirossian, N, Mao, SP, Manzer, SF, Manohar, P, Luenser, A, Lochan, RC, Wang, T, Watson, MA, Goldey, M, Wenzel, J, White, A, Williams, CF, Yang, J, Yeganeh, S, Yost, SR, You, ZQ, Zhang, IY, Zhang, X, Zhao, Y, Horn, PR, Brooks, BR, Chan, GKL, Chipman, DM, Cramer, CJ, Goddard, WA, Gordon, MS, Hehre, WJ, Klamt, A, Schaefer, HF, Schmidt, MW, Jacobson, LD, Sherrill, CD, Truhlar, DG, Warshel, A, Xu, X, Aspuru-Guzik, A, Baer, R, Vydrov, O, Vogt, L, Vanovschi, V, Tsuchimochi, T, Thom, AJW, Su, YC, Stück, D, Bell, AT, Besley, NA, Chai, JD, Dreuw, A, Kaliman, I, Dunietz, BD, Furlani, TR, Gwaltney, SR, Hsu, CP, Jung, Y, Kong, J, Lambrecht, DS, Liang, W, Ochsenfeld, C, Rassolov, VA, Khaliullin, RZ, Slipchenko, LV, Subotnik, JE, Van Voorhis, T, Herbert, JM, Krylov, AI, Gill, PMW, Head-Gordon, M, Kus̈, T, Landau, A, Liu, J, Proynov, EI

مصطلحات موضوعية: electron correlation, electronic structure theory, Q-CHEM, quantum chemistry, software, computational modelling, density functional theory

Relation: Molecular Physics; Molecular Physics, 2015, v. 113, n. 2, p. 184-215; 215; eid_2-s2.0-84919482525; 184; http://hdl.handle.net/10722/231093; 113

الاتاحة: https://doi.org/10.1080/00268976.2014.952696
http://hdl.handle.net/10722/231093