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Chemical Reviews, ISSN 0009-2665, 05/2016, Volume 116, Issue 9, pp. 5038 - 5071
Data sets of benchmark interaction energies in noncovalent complexes are an important tool for quantifying the accuracy of computational methods used in this... 
FULL CCSDT MODEL | CORRELATED MOLECULAR CALCULATIONS | PLESSET PERTURBATION-THEORY | CONSISTENT BASIS-SETS | INCLUDING DISPERSION CORRECTIONS | VIRTUAL ORBITAL SPACE | DENSITY-FUNCTIONAL-THEORY | SIDE-CHAIN INTERACTIONS | CHEMISTRY, MULTIDISCIPLINARY | BASIS-SET CONVERGENCE | COUPLED-CLUSTER THEORY
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 2005, Volume 123, Issue 22, p. 224105
Completely renormalized (CR) coupled-cluster (CC) approaches, such as CR-CCSD(T), in which one corrects the standard CC singles and doubles (CCSD) energy for... 
FULL CCSDT MODEL | TRIPLES CORRECTION T | BASIS SETS | CONFIGURATION-INTERACTION | DOUBLES METHOD | SINGLE-REFERENCE | POTENTIAL-ENERGY SURFACES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | MOLECULAR ELECTRONIC-STRUCTURE | PERTURBATIVE CORRECTION | EXCITED-STATES
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 02/2019, Volume 123, Issue 7, pp. 1423 - 1433
Experimentally and theoretically determined magnetic and electric dipole moments, bond distances, and vibrational spacings are used for a comparative study of... 
FULL CCSDT MODEL | EXTRACTION | NEON | EXCITATIONS | NONRELATIVISTIC METHODS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | BASIS-SETS | ACTINIDE | ELECTRONIC-STRUCTURE
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 12/2004, Volume 121, Issue 23, pp. 11599 - 11613
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 12/2006, Volume 110, Issue 51, pp. 13877 - 13883
Journal Article
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ISSN 1463-9076, 11/2019, Volume 21, Issue 43, pp. 24194 - 24205
This research presents an ab initio characterization of the potential energy surface for the methylamine plus D-1 oxygen atom reaction, which may be relevant... 
FULL CCSDT MODEL | GLYCINE | EXCITATION | AMINO-ACIDS | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | INTERSTELLAR-MEDIUM | BASIS-SETS | PROPYLENE-OXIDE | ULTRAVIOLET-IRRADIATION | COUPLED-CLUSTER SINGLE
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 2005, Volume 123, Issue 5, p. 054101
A new method is presented for treating the effects of quadruple excitations in coupled-cluster theory. In the approach, quadruple excitation contributions are... 
FULL CCSDT MODEL | BODY PERTURBATION-THEORY | ORDER | 5TH-ORDER | TRIPLE | DOUBLES METHOD | THERMOCHEMISTRY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SINGLES | ENERGY CORRECTIONS | ELECTRON CORRELATION
Journal Article
Physical Review C - Nuclear Physics, ISSN 0556-2813, 11/2013, Volume 88, Issue 5
We generalize the coupled-cluster (CC) approach with singles, doubles, and the noniterative treatment of triples termed Lambda CCSD(T) to Hamiltonians... 
FULL CCSDT MODEL | NUCLEAR-FORCES | QUANTUM-CHEMISTRY | MOLECULAR SYSTEMS | CONFIGURATION-INTERACTION | OPEN-SHELL SYSTEMS | PHYSICS, NUCLEAR | PERTURBATION THEORIES | CLOSED-SHELL | ELECTRON CORRELATION | CHIRAL LAGRANGIANS
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 06/2015, Volume 11, Issue 7, pp. 3171 - 3179
While restricted single-reference coupled cluster theory truncated to singles and doubles (CCSD) provides very accurate results for weakly correlated systems,... 
FULL CCSDT MODEL | BASIS SETS | QUANTUM-CHEMISTRY | WAVE-FUNCTION | ACCOUNT | ENERGY | QUADRUPLY EXCITED CLUSTERS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | ATOMS | MOLECULAR ELECTRONIC-STRUCTURE | RANDOM-PHASE-APPROXIMATION | Physics - Chemical Physics
Journal Article
Wiley Interdisciplinary Reviews: Computational Molecular Science, ISSN 1759-0876, 01/2012, Volume 2, Issue 1, pp. 126 - 138
Coupled‐cluster theory offers today's reference quantum chemical method for most of the problems encountered in electronic structure theory. It has been... 
BODY PERTURBATION-THEORY | FULL CCSDT MODEL | EXCITED ELECTRONIC STATES | EXCITATION-ENERGIES | CONFIGURATION-INTERACTION | MOLECULAR APPLICATIONS | MATHEMATICAL & COMPUTATIONAL BIOLOGY | OPEN-SHELL | HILBERT-SPACE | FOCK-SPACE | QUADRUPLE EXCITATIONS | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 10/2000, Volume 113, Issue 13, pp. 5154 - 5161
A new implementation of the approximate coupled cluster singles and doubles method CC2 is reported, which is suitable for large scale integral-direct... 
RESPONSE FUNCTIONS | COUPLED-CLUSTER SINGLES | PLESSET PERTURBATION-THEORY | CCSDT MODEL | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | BASIS-SETS | FULL CONFIGURATION-INTERACTION | EQUATION | ELECTRON CORRELATION | TRIPLE EXCITATIONS | EXCITED-STATES
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 06/2019, Volume 150, Issue 22, p. 224102
A number of economical modifications to the high-accuracy extrapolated ab initio thermochemistry (HEAT) model chemistry are evaluated. The two resulting... 
FULL CCSDT MODEL | HEAT | WAVE-FUNCTIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | GAUSSIAN-BASIS SETS | TABLES | Heats (energies) | Organic chemistry | Economic models | Accuracy | Thermochemistry | Enthalpy | Reaction kinetics | Computing time | Atomizing | Model accuracy
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 11/2017, Volume 147, Issue 18, p. 184101
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 12/2005, Volume 123, Issue 21, pp. 214105 - 214105-13
The possibilities for the approximate treatment of higher excitations in coupled-cluster (CC) theory are discussed. Potential routes for the generalization of... 
FULL CCSDT MODEL | BODY PERTURBATION-THEORY | INNER-PROJECTION TECHNIQUE | MANY-BODY | CONFIGURATION-INTERACTION MODELS | CORRELATED MOLECULAR CALCULATIONS | QUADRUPLY EXCITED CLUSTERS | AB-INITIO THERMOCHEMISTRY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SHELL HARTREE-FOCK | GAUSSIAN-BASIS SETS
Journal Article