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 | 2785 | 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 | 890 | 2004 |
Applications of Post‐Hartree—Fock Methods: A Tutorial RJ Bartlett, JF Stanton Reviews in computational chemistry, 65-169, 1994 | 716 | 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 | 698 | 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 | 669 | 1994 |
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), 2020 | 544 | 2020 |
Why CCSD (T) works: a different perspective JF Stanton Chemical Physics Letters 281 (1-3), 130-134, 1997 | 530 | 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), 2008 | 480 | 2008 |
Coupled-cluster methods including noniterative corrections for quadruple excitations YJ Bomble, JF Stanton, M Kállay, J Gauss The Journal of chemical physics 123 (5), 2005 | 456 | 2005 |
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 | 434 | 1996 |
Analytic CCSD (T) second derivatives J Gauss, JF Stanton Chemical physics letters 276 (1-2), 70-77, 1997 | 424 | 1997 |
The accurate determination of molecular equilibrium structures KL Bak, J Gauss, P Jørgensen, J Olsen, T Helgaker, JF Stanton The Journal of Chemical Physics 114 (15), 6548-6556, 2001 | 415 | 2001 |
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), 2006 | 405 | 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 | 351 | 2005 |
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 | 344 | 2010 |
Coupled‐cluster calculations of nuclear magnetic resonance chemical shifts J Gauss, JF Stanton The Journal of chemical physics 103 (9), 3561-3577, 1995 | 326 | 1995 |
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 | 323 | 1991 |
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 | 317 | 1991 |
Quantitative prediction of gas-phase C13 nuclear magnetic shielding constants AA Auer, J Gauss, JF Stanton The Journal of chemical physics 118 (23), 10407-10417, 2003 | 288 | 2003 |
Analytic second derivatives in high-order many-body perturbation and coupled-cluster theories: Computational considerations and applications JF Stanton, J Gauss International Reviews in Physical Chemistry 19 (1), 61-95, 2000 | 288 | 2000 |