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John Watts
John Watts
Verified email at jsums.edu
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Coupled‐cluster methods with noniterative triple excitations for restricted open‐shell Hartree–Fock and other general single determinant reference functions. Energies and …
JD Watts, J Gauss, RJ Bartlett
The Journal of chemical physics 98 (11), 8718-8733, 1993
21551993
Non-iterative fifth-order triple and quadruple excitation energy corrections in correlated methods
RJ Bartlett, JD Watts, SA Kucharski, J Noga
Chemical physics letters 165 (6), 513-522, 1990
9931990
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
7001992
The coupled‐cluster single, double, and triple excitation model for open‐shell single reference functions
JD Watts, RJ Bartlett
The Journal of chemical physics 93 (8), 6104-6105, 1990
3931990
Open-shell analytical energy gradients for triple excitation many-body, coupled-cluster methods: MBPT (4), CCSD+ T (CCSD), CCSD (T), and QCISD (T)
JD Watts, J Gauss, RJ Bartlett
Chemical physics letters 200 (1-2), 1-7, 1992
3531992
Economical triple excitation equation-of-motion coupled-cluster methods for excitation energies
JD Watts, RJ Bartlett
Chemical Physics Letters 233 (1-2), 81-87, 1995
3131995
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
3061991
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
2891991
Iterative and non-iterative triple excitation corrections in coupled-cluster methods for excited electronic states: the EOM-CCSDT-3 and EOM-CCSD (T) methods
JD Watts, RJ Bartlett
Chemical Physics Letters 258 (5-6), 581-588, 1996
2701996
Analytic energy gradients for open-shell coupled-cluster singles and doubles (CCSD) calculations using restricted open-shell Hartree—Fock (ROHF) reference functions
J Gauss, WJ Lauderdale, JF Stanton, JD Watts, RJ Bartlett
Chemical physics letters 182 (3-4), 207-215, 1991
2681991
ACES II, a program product of the Quantum Theory Project
JF Stanton, J Gauss, JD Watts, M Nooijen, N Oliphant, SA Perera, ...
University of Florida, 1992
1881992
The inclusion of connected triple excitations in the equation‐of‐motion coupled‐cluster method
JD Watts, RJ Bartlett
The Journal of chemical physics 101 (4), 3073-3078, 1994
1781994
A theoretical study of linear carbon cluster monoanions, Cn, and dianions, C2−n (n=2–10)
JD Watts, RJ Bartlett
The Journal of chemical physics 97 (5), 3445-3457, 1992
1731992
Coupled‐cluster calculations of the excitation energies of ethylene, butadiene, and cyclopentadiene
JD Watts, SR Gwaltney, RJ Bartlett
The Journal of chemical physics 105 (16), 6979-6988, 1996
1611996
Coupled‐cluster calculations on the C2 molecule and the C+ 2 and C− 2 molecular ions
JD Watts, RJ Bartlett
The Journal of chemical physics 96 (8), 6073-6084, 1992
1541992
Coupled-cluster calculations of the excitation energies of benzene and the azabenzenes
JE Del Bene, JD Watts, RJ Bartlett
The Journal of chemical physics 106 (14), 6051-6060, 1997
1391997
A theoretical study of hyperfine coupling constants
SA Perera, JD Watts, RJ Bartlett
The Journal of chemical physics 100 (2), 1425-1434, 1994
1141994
Using experimental data of Escherichia coli to develop a QSAR model for predicting the photo-induced cytotoxicity of metal oxide nanoparticles
K Pathakoti, MJ Huang, JD Watts, X He, HM Hwang
Journal of Photochemistry and Photobiology B: Biology 130, 234-240, 2014
1092014
the integral packages MOLECULE (Almlöf, J.; Taylor, PR), PROPS (Taylor, PR), ABACUS (Helgaker, T.; Jensen, HJ Aa.; Jørgensen, P.; Olsen, J.), and ECP routines by Mitin, AV; van …
RJ Bartlett, U Benedikt, C Berger, DE Bernholdt, YJ Bomble, ...
For the current version, see http://www. cfour. de, 2015
1062015
Linear and cyclic isomers of C4. A theoretical study with coupled‐cluster methods and large basis sets
JD Watts, J Gauss, JF Stanton, RJ Bartlett
The Journal of chemical physics 97 (11), 8372-8381, 1992
1041992
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