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- Publications
- Influence
Fulminant hepatic failure.
- S. A. Kucharski
- Medicine
- Critical care nursing clinics of North America
- 1 March 1993
Fulminant hepatic failure is a complex clinical syndrome that has a diverse etiology, an unpredictable course, and a high mortality rate. The acutely ill patient admitted to the ICU with this… Expand
Non-iterative fifth-order triple and quadruple excitation energy corrections in correlated methods
- R. Bartlett, J. D. Watts, S. A. Kucharski, J. Noga
- Chemistry
- 2 February 1990
Abstract In critical cases, single-reference correlated methods like coupled-cluster theory or its quadratic CI approximations fail because of the importance of additional highly excited excitations… Expand
Recursive intermediate factorization and complete computational linearization of the coupled-cluster single, double, triple, and quadruple excitation equations
- S. A. Kucharski, R. Bartlett
- Physics
- 1 July 1991
SummaryThe nonlinear CCSDTQ equations are written in a fully linearized form, via the introduction of computationally convenient intermediates. An efficient formulation of the coupled cluster method… Expand
A coupled cluster approach with triple excitations
- Y. Lee, S. A. Kucharski, R. Bartlett
- Chemistry
- 20 December 1984
The coupled‐cluster model for electron correlation is generalized to include the effects of connected triple excitation contributions. The detailed equations for triple excitation amplitudes are… Expand
Efficient computer implementation of the renormalized coupled-cluster methods: The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) approaches
- P. Piecuch, S. A. Kucharski, K. Kowalski, M. Musiał
- Mathematics
- 1 December 2002
Abstract The recently proposed renormalized (R) and completely renormalized (CR) coupled-cluster (CC) methods of the CCSD[T] and CCSD(T) types have been implemented using recursively generated… Expand
The coupled‐cluster single, double, triple, and quadruple excitation method
- S. A. Kucharski, R. Bartlett
- Chemistry
- 15 September 1992
A general implementation of the coupled‐cluster (CC) single, double, triple, and quadruple excitation (CCSDTQ) method is presented and applied to several molecules, including BH, HF, H2O, and CO with… Expand
Intermolecular potential of carbon dioxide dimer from symmetry-adapted perturbation theory
- R. Bukowski, J. Sadlej, +5 authors B. Rice
- Chemistry
- 11 February 1999
A four-dimensional intermolecular potential energy surface for the carbon dioxide dimer has been computed using the many-body symmetry-adapted perturbation theory (SAPT) and a large 5s3p2d1f basis… Expand
Method of moments of coupled-cluster equations: a new formalism for designing accurate electronic structure methods for ground and excited states
- P. Piecuch, K. Kowalski, +6 authors M. Musiał
- Chemistry
- 1 July 2004
Abstract.The method of moments of coupled-cluster equations (MMCC), which provides a systematic way of improving the results of the standard coupled-cluster (CC) and equation-of-motion CC (EOMCC)… Expand
Coupled-cluster methods that include connected quadruple excitations, T4: CCSDTQ-1 and Q(CCSDT)
- S. A. Kucharski, R. Bartlett
- Chemistry
- 23 June 1989
Abstract Several coupled-cluster methods that include the connected T 4 contribution have been formulated and implemented. All are correct through the fifth-order energy. CCSDTQ-1 reproduces the full… Expand
Experimental and theoretical UV characterizations of acetylacetone and its isomers.
- S. Coussan, Y. Ferro, +9 authors M. Musiał
- Chemistry, Medicine
- The journal of physical chemistry. A
- 24 February 2006
Cryogenic matrix isolation experiments have allowed the measurement of the UV absorption spectra of the high-energy non-chelated isomers of acetylacetone, these isomers being produced by UV… Expand