The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties JF Stanton, RJ Bartlett The Journal of chemical physics 98 (9), 7029-7039, 1993 | 2512 | 1993 |
HEAT: High accuracy extrapolated ab initio thermochemistry A Tajti, PG Szalay, AG Császár, M Kállay, J Gauss, EF Valeev, ... The Journal of chemical physics 121 (23), 11599-11613, 2004 | 814 | 2004 |
Applications of Post‐Hartree—Fock Methods: A Tutorial RJ Bartlett, JF Stanton Reviews in computational chemistry, 65-169, 1994 | 675 | 1994 |
The ACES II program system JF Stanton, J Gauss, JD Watts, WJ Lauderdale, RJ Bartlett International Journal of Quantum Chemistry 44 (S26), 879-894, 1992 | 661 | 1992 |
Analytic energy derivatives for ionized states described by the equation‐of‐motion coupled cluster method JF Stanton, J Gauss The Journal of chemical physics 101 (10), 8938-8944, 1994 | 619 | 1994 |
Why CCSD (T) works: a different perspective JF Stanton Chemical Physics Letters 281 (1-3), 130-134, 1997 | 452 | 1997 |
High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview ME Harding, J Vázquez, B Ruscic, AK Wilson, J Gauss, JF Stanton The Journal of chemical physics 128 (11), 114111, 2008 | 436 | 2008 |
Perturbative treatment of triple excitations in coupled‐cluster calculations of nuclear magnetic shielding constants J Gauss, JF Stanton The Journal of chemical physics 104 (7), 2574-2583, 1996 | 417 | 1996 |
Analytic CCSD (T) second derivatives J Gauss, JF Stanton Chemical physics letters 276 (1-2), 70-77, 1997 | 406 | 1997 |
The accurate determination of molecular equilibrium structures KL Bak, J Gauss, P Jřrgensen, J Olsen, T Helgaker, JF Stanton The Journal of Chemical Physics 114 (15), 6548-6556, 2001 | 398 | 2001 |
Coupled-cluster methods including noniterative corrections for quadruple excitations YJ Bomble, JF Stanton, M Kállay, J Gauss The Journal of chemical physics 123 (5), 054101, 2005 | 392 | 2005 |
High-accuracy extrapolated ab initio thermochemistry. II. Minor improvements to the protocol and a vital simplification YJ Bomble, J Vázquez, M Kállay, C Michauk, PG Szalay, AG Császár, ... The Journal of chemical physics 125 (6), 064108, 2006 | 369 | 2006 |
IUPAC critical evaluation of thermochemical properties of selected radicals. Part I B Ruscic, JE Boggs, A Burcat, AG Császár, J Demaison, R Janoschek, ... Journal of physical and chemical reference data 34 (2), 573-656, 2005 | 337 | 2005 |
Coupled-cluster techniques for computational chemistry: The CFOUR program package DA Matthews, L Cheng, ME Harding, F Lipparini, S Stopkowicz, TC Jagau, ... The Journal of Chemical Physics 152 (21), 214108, 2020 | 316 | 2020 |
Coupled‐cluster open‐shell analytic gradients: Implementation of the direct product decomposition approach in energy gradient calculations J Gauss, JF Stanton, RJ Bartlett The Journal of chemical physics 95 (4), 2623-2638, 1991 | 311 | 1991 |
Coupled‐cluster calculations of nuclear magnetic resonance chemical shifts J Gauss, JF Stanton The Journal of chemical physics 103 (9), 3561-3577, 1995 | 304 | 1995 |
CFOUR, Coupled-Cluster techniques for Computational Chemistry, a quantum-chemical program package JF Stanton, J Gauss, L Cheng, ME Harding, DA Matthews, PG Szalay, ... With contributions from AA Auer, RJ Bartlett, U. Benedikt, C. Berger, DE …, 2019 | 299 | 2019 |
Quantum-chemical calculation of spectroscopic parameters for rotational spectroscopy C Puzzarini, JF Stanton, J Gauss International Reviews in Physical Chemistry 29 (2), 273-367, 2010 | 289 | 2010 |
A direct product decomposition approach for symmetry exploitation in many‐body methods. I. Energy calculations JF Stanton, J Gauss, JD Watts, RJ Bartlett The Journal of Chemical Physics 94 (6), 4334-4345, 1991 | 288 | 1991 |
Many-body perturbation theory with a restricted open-shell Hartree—Fock reference WJ Lauderdale, JF Stanton, J Gauss, JD Watts, RJ Bartlett Chemical physics letters 187 (1-2), 21-28, 1991 | 280 | 1991 |