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List of works by Karol Kowalski

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The method of moments of coupled-cluster equations and the renormalized CCSD[T], CCSD(T), CCSD(TQ), and CCSDT(Q) approaches

New coupled-cluster methods with singles, doubles, and noniterative triples for high accuracy calculations of excited electronic states

scientific article published in January 2004
The active-space equation-of-motion coupled-cluster methods for excited electronic states: Full EOMCCSDt

A comparison of the renormalized and active-space coupled-cluster methods: Potential energy curves of BH and F2

article by Karol Kowalski & Piotr Piecuch published August 2001 in Chemical Physics Letters
Extension of renormalized coupled-cluster methods including triple excitations to excited electronic states of open-shell molecules

scientific article published in June 2005
On the electronically excited states of uracil

scientific article
Parallel computation of coupled-cluster hyperpolarizabilities.

scientific article published in May 2009
Utilizing high performance computing for chemistry: parallel computational chemistry.

scientific article published on 08 June 2010
Active-space coupled-cluster study of electronic states of Be3.

scientific article published in August 2005
Where Does the Planar-to-Nonplanar Turnover Occur in Small Gold Clusters?

scientific article published in January 2005
Dynamic polarizabilities of polyaromatic hydrocarbons using coupled-cluster linear response theory

scientific article published in October 2007
Exactness of Two-Body Cluster Expansions in Many-Body Quantum Theory

scientific article
Extension of the method of moments of coupled-cluster equations to a multireference wave operator formalism

scientific article published in July 2001
Renormalized CCSD(T) and CCSD(TQ) approaches: Dissociation of the N2 triple bond

scientific article published on 8 October 2000
Noniterative Multireference Coupled Cluster Methods on Heterogeneous CPU-GPU Systems.

scientific article published on 19 March 2013
Efficient computer implementation of the renormalized coupled-cluster methods: The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) approaches

scientific article published in December 2002
Active-space completely-renormalized equation-of-motion coupled-cluster formalism: Excited-state studies of green fluorescent protein, free-base porphyrin, and oligoporphyrin dimer.

scientific article published in April 2010
Implementation of the locally renormalized CCSD(T) approaches for arbitrary reference function

scientific article published in July 2005
Hybrid coupled cluster and molecular dynamics approach: application to the excitation spectrum of cytosine in the native DNA environment

scientific article published in December 2006
GPU-Based Implementations of the Noniterative Regularized-CCSD(T) Corrections: Applications to Strongly Correlated Systems

scientific article published on April 11, 2011
Reliable modeling of the electronic spectra of realistic uranium complexes.

scientific article
Can ordinary single-reference coupled-cluster methods describe potential energy surfaces with nearly spectroscopic accuracy? The renormalized coupled-cluster study of the vibrational spectrum of HF

scientific article published in October 2001
New type of noniterative energy corrections for excited electronic states: Extension of the method of moments of coupled-cluster equations to the equation-of-motion coupled-cluster formalism

scientific article published on 15 August 2001
Generating functionals based formulation of the method of moments of coupled cluster equations

scientific article published in February 2009
Communication: Application of state-specific multireference coupled cluster methods to core-level excitations.

scientific article published in November 2012
Method of Moments of Coupled-Cluster Equations: Externally Corrected Approaches Employing Configuration Interaction Wave Functions

scientific article published on 31 May 2002
Recent advances in electronic structure theory: Method of moments of coupled-cluster equations and renormalized coupled-cluster approaches

scientific article published in October 2002
A universal state-selective approach to multireference coupled-cluster non-iterative corrections

scientific article published on May 21, 2011
The active-space equation-of-motion coupled-cluster methods for excited electronic states: The EOMCCSDt approach

scientific article published on 15 November 2000
Extension of the method of moments of coupled-cluster equations to excited states: The triples and quadruples corrections to the equation-of-motion coupled-cluster singles and doubles energies

scientific article published in May 2002
The State-Universal Multi-Reference Coupled-Cluster Theory: An Overview of Some Recent Advances

scientific article published on 30 June 2002
Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description

scientific article
Excited-state potential energy curves of CH+: a comparison of the EOMCCSDt and full EOMCCSDT results

scientific article published in October 2001
Renormalized coupled-cluster calculations of reactive potential energy surfaces: A comparison of the CCSD(T), renormalized CCSD(T), and full configuration interaction results for the collinear BeFH system

scientific article published on 22 August 2002
Nested variant of the method of moments of coupled cluster equations for vertical excitation energies and excited-state potential energy surfaces

scientific article published in May 2009
EOMCC, MRPT, and TDDFT studies of charge transfer processes in mixed-valence compounds: application to the spiro molecule

scientific article published on 26 August 2010
Linear response coupled cluster singles and doubles approach with modified spectral resolution of the similarity transformed Hamiltonian

scientific article published in October 2007
Equation of motion coupled cluster methods for electron attachment and ionization potential in fullerenes C60 and C70.

scientific article published in August 2014
Parallel Implementation of Multireference Coupled-Cluster Theories Based on the Reference-Level Parallelism

scientific article published in February 2012
Probing microhydration effect on the electronic structure of the GFP chromophore anion: Photoelectron spectroscopy and theoretical investigations

scientific article published on December 2015
Complete set of solutions of multireference coupled-cluster equations: The state-universal formalism

scientific article published on 10 April 2000
Electronic Structure and Stability of [B12X12]2- (X = F-At): A Combined Photoelectron Spectroscopic and Theoretical Study.

scientific article
Coupled-cluster dynamic polarizabilities including triple excitations

scientific article published in June 2008
Method of moments of coupled-cluster equations: The quasivariational and quadratic approximations

scientific article published on 8 August 2003
In Search of the Relationship between Multiple Solutions Characterizing Coupled-Cluster Theories

scientific article published in October 2000
Recent developments in the general atomic and molecular electronic structure system

scientific article published on 01 April 2020
NWChem: Past, present, and future

scientific article published on 01 May 2020
Coupled cluster Green function: Model involving single and double excitations

scientific article published in April 2016
Bridging single and multireference coupled cluster theories with universal state selective formalism

scientific article published on May 28, 2013
Optimization of the Coupled Cluster Implementation in NWChem on Petascale Parallel Architectures

scientific article published in October 2014

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