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by Shao, Yihan and Gan, Zhengting and Epifanovsky, Evgeny and Gilbert, Andrew T.B and Wormit, Michael and Kussmann, Joerg and Lange, Adrian W and Behn, Andrew and Deng, Jia and Feng, Xintian and Ghosh, Debashree and Goldey, Matthew and Horn, Paul R and Jacobson, Leif D and Kaliman, Ilya and Khaliullin, Rustam Z and Kuś, Tomasz and Landau, Arie and Liu, Jie and Proynov, Emil I and Rhee, Young Min and Richard, Ryan M and Rohrdanz, Mary A and Steele, Ryan P and Sundstrom, Eric J and Woodcock, H. Lee and Zimmerman, Paul M and Zuev, Dmitry and Albrecht, Ben and Alguire, Ethan and Austin, Brian and Beran, Gregory J. O and Bernard, Yves A and Berquist, Eric and Brandhorst, Kai and Bravaya, Ksenia B and Brown, Shawn T and Casanova, David and Chang, Chun-Min and Chen, Yunqing and Chien, Siu Hung and Closser, Kristina D and Crittenden, Deborah L and Diedenhofen, Michael and DiStasio, Robert A and Do, Hainam and Dutoi, Anthony D and Edgar, Richard G and Fatehi, Shervin and Fusti-Molnar, Laszlo and Ghysels, An and Golubeva-Zadorozhnaya, Anna and Gomes, Joseph and Hanson-Heine, Magnus W.D and Harbach, Philipp H.P and Hauser, Andreas W and Hohenstein, Edward G and Holden, Zachary C and Jagau, Thomas-C and Ji, Hyunjun and Kaduk, Benjamin and Khistyaev, Kirill and Kim, Jaehoon and Kim, Jihan and King, Rollin A and Klunzinger, Phil and Kosenkov, Dmytro and Kowalczyk, Tim and Krauter, Caroline M and Lao, Ka Un and Laurent, Adèle D and Lawler, Keith V and Levchenko, Sergey V and Lin, Ching Yeh and Liu, Fenglai and Livshits, Ester and Lochan, Rohini C and Luenser, Arne and Manohar, Prashant and Manzer, Samuel F and Mao, Shan-Ping and Mardirossian, Narbe and Marenich, Aleksandr V and Maurer, Simon A and Mayhall, Nicholas J and Neuscamman, Eric and Oana, C. Melania and Olivares-Amaya, Roberto and O'Neill, Darragh P and Parkhill, John A and Perrine, Trilisa M and Peverati, Roberto and Prociuk, Alexander and Rehn, Dirk R and Rosta, Edina and Russ, Nicholas J and Sharada, Shaama M and Sharma, Sandeep and Small, David W and Sodt, Alexander and ...
Molecular Physics, ISSN 0026-8976, 01/2015, Volume 113, Issue 2, pp. 184 - 215
Journal Article
Biophysical Journal, ISSN 0006-3495, 02/2019, Volume 116, Issue 3, p. 7
Journal Article
Journal Article
Biophysical Journal, ISSN 0006-3495, 01/2012, Volume 102, Issue 3, pp. 291a - 291a
Journal Article
Biophysical Journal, ISSN 0006-3495, 2011, Volume 100, Issue 3, pp. 333a - 333a
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 2008, Volume 128, Issue 10, p. 104106
In this work, we apply the atomic resolution of the identity (ARI) fitting approximation to the computation of Hartree-Fock exchange. The ARI approximation is... 
AUXILIARY BASIS-SETS | MATRIX | QUANTUM-CHEMISTRY | LINEAR SCALING COMPUTATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | IMPLEMENTATION | CHEMISTRY, PHYSICAL | ALGORITHMS | ELECTRONIC-STRUCTURE CALCULATIONS | EFFICIENCY | GAUSSIAN-BASIS SETS | MOLECULES
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 08/2006, Volume 125, Issue 7, pp. 074116 - 074116-12
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 11/2006, Volume 125, Issue 19, pp. 194109 - 194109-9
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 08/2010, Volume 114, Issue 33, pp. 8665 - 8675
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2006, Volume 8, Issue 27, pp. 3172 - 3191
Advances in theory and algorithms for electronic structure calculations must be incorporated into program packages to enable them to become routinely used by... 
PLESSET PERTURBATION-THEORY | NMR CHEMICAL-SHIFTS | POTENTIAL-ENERGY SURFACES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | AB-INITIO CALCULATIONS | CHEMISTRY, PHYSICAL | FAST MULTIPOLE METHOD | DUAL BASIS-SETS | DENSITY-FUNCTIONAL THEORY | COUPLED-CLUSTER DOUBLES | ELECTRONIC-STRUCTURE CALCULATIONS | GAUSSIAN-BASIS SETS
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 07/2006, Volume 8, Issue 27, pp. 3172 - 3191
Advances in theory and algorithms for electronic structure calculations must be incorporated into program packages to enable them to become routinely used by... 
Thermodynamics | Quantum Theory | Algorithms | Magnetic Resonance Spectroscopy | Models, Chemical | Biophysics - methods | Cluster Analysis | Electrons
Journal Article