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Local correlation calculations using standard and renormalized coupled-cluster approaches

The Journal of chemical physics, 2009-09, Vol.131 (11), p.114109-114109

2009

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Recent developments in the general atomic and molecular electronic structure system

The Journal of chemical physics, 2020-04, Vol.152 (15), p.154102-154102

2020

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Efficient formulation and computer implementation of the active-space electron-attached and ionized equation-of-motion coupled-cluster methods

The Journal of chemical physics, 2006-12, Vol.125 (23), p.234107-234107-17

2006

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Extension of renormalized coupled-cluster methods including triple excitations to excited electronic states of open-shell molecules

The Journal of chemical physics, 2005-06, Vol.122 (21), p.214107-214107

2005

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Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals

Chemical physics letters, 2006-02, Vol.418 (4), p.467-474

2006

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Active-space symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methods for high accuracy calculations of potential energy surfaces of radicals

The Journal of chemical physics, 2007-04, Vol.126 (16), p.164111-164111

2007

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Extension of the Renormalized Coupled-Cluster Methods Exploiting Left Eigenstates of the Similarity-Transformed Hamiltonian to Open-Shell Systems: A Benchmark Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-11, Vol.111 (44), p.11359-11382

2007

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Stereoelectronic Effects on Molecular Geometries and State-Energy Splittings of Ligated Monocopper Dioxygen Complexes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-04, Vol.112 (16), p.3754-3767

2008

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Synthesis, ADME and antimycobacterial studies of a novel series of 2-thiazolylimino-5-arylidene-4-thiazolidinone derivatives

International journal of infectious diseases, 2016-04, Vol.45, p.213-214

2016

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Voltage Regulation in a Radial Microgrid with High RES Penetration: Approach-Optimum DVR Control

Engineering, technology & applied science research, 2022-08, Vol.12 (4), p.8796-8802

2022

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Active-space equation-of-motion coupled-cluster methods for excited states of radicals and other open-shell systems: EA-EOMCCSDt and IP-EOMCCSDt

The Journal of chemical physics, 2005-10, Vol.123 (13), p.134113-134113

2005

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Thermochemical Kinetics for Multireference Systems: Addition Reactions of Ozone

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-05, Vol.113 (19), p.5786-5799

2009

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Two new classes of non-iterative coupled-cluster methods derived from the method of moments of coupled-cluster equations

Molecular physics, 2006-07, Vol.104 (13-14), p.2149-2172

2006

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Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianions

Chemical physics, 2012-05, Vol.399, p.94-110

2012

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Voltage Regulation in a Radial Microgrid with High RES Penetration

Engineering, technology & applied science research, 2022-08, Vol.12 (4), p.8796-8802

2022

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Center-of-mass problem in truncated configuration interaction and coupled-cluster calculations

Physics letters. B, 2009-08, Vol.679 (4), p.334-339

2009

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Low-lying valence excited states of CNC, C2N, N3, and NCO studied using the electron-attached and ionized symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methodologies

Molecular physics, 2009-04, Vol.107 (8-12), p.871-880

2009

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Breaking Bonds of Open-Shell Species with the Restricted Open-Shell Size Extensive Left Eigenstate Completely Renormalized Coupled-Cluster Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-11, Vol.112 (46), p.11873-11884

2008

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Comparison of the completely renormalized equation-of-motion coupled-cluster and Quantum Monte Carlo results for the low-lying electronic states of methylene

Molecular physics, 2010-10, Vol.108 (19-20), p.2633-2646

2010

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Local Correlation Calculations Using Standard and Renormalized Coupled-Cluster Methods

Theory and Applications of Computational Chemistry - 2008 (AIP Conference Proceedings Series Volume 1102), 2009, Vol.1102, p.68-113

2009

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Coupled-cluster and configuration-interaction calculations for odd-A heavy nuclei

Physical review letters, 2008-08, Vol.101 (5), p.052501-052501, Article 052501

2008

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Dealing with chemical reaction pathways and electronic excitations in molecular systems via renormalized and active-space coupled-cluster methods

AIP Conference Proceedings, 2015, Vol.1642 (1), p.175

2015

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A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects

The Journal of chemical physics, 2008-01, Vol.128 (4), p.044108-044108

2008

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Left-eigenstate completely renormalized equation-of-motion coupled-cluster methods: Review of key concepts, extension to excited states of open-shell systems, and comparison with electron-attached and ionized approaches

International journal of quantum chemistry, 2009-11, Vol.109 (14), p.3268-3304

2009

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Stabilization of New Forms of the Intermetallic Phases β-RENiGe2 (RE = Dy, Ho, Er, Tm, Yb, Lu) in Liquid Indium

Inorganic chemistry, 2004-02, Vol.43 (4), p.1403-1410

2004

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Local correlation calculations using standard and renormalized coupled-cluster approaches

Recent developments in the general atomic and molecular electronic structure system

Efficient formulation and computer implementation of the active-space electron-attached and ionized equation-of-motion coupled-cluster methods

Extension of renormalized coupled-cluster methods including triple excitations to excited electronic states of open-shell molecules

Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals

Active-space symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methods for high accuracy calculations of potential energy surfaces of radicals

Extension of the Renormalized Coupled-Cluster Methods Exploiting Left Eigenstates of the Similarity-Transformed Hamiltonian to Open-Shell Systems: A Benchmark Study

Stereoelectronic Effects on Molecular Geometries and State-Energy Splittings of Ligated Monocopper Dioxygen Complexes

Synthesis, ADME and antimycobacterial studies of a novel series of 2-thiazolylimino-5-arylidene-4-thiazolidinone derivatives

Voltage Regulation in a Radial Microgrid with High RES Penetration: Approach-Optimum DVR Control

Active-space equation-of-motion coupled-cluster methods for excited states of radicals and other open-shell systems: EA-EOMCCSDt and IP-EOMCCSDt

Thermochemical Kinetics for Multireference Systems: Addition Reactions of Ozone

Two new classes of non-iterative coupled-cluster methods derived from the method of moments of coupled-cluster equations

Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianions

Voltage Regulation in a Radial Microgrid with High RES Penetration

Center-of-mass problem in truncated configuration interaction and coupled-cluster calculations

Low-lying valence excited states of CNC, C2N, N3, and NCO studied using the electron-attached and ionized symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methodologies

Breaking Bonds of Open-Shell Species with the Restricted Open-Shell Size Extensive Left Eigenstate Completely Renormalized Coupled-Cluster Method

Comparison of the completely renormalized equation-of-motion coupled-cluster and Quantum Monte Carlo results for the low-lying electronic states of methylene

Local Correlation Calculations Using Standard and Renormalized Coupled-Cluster Methods

Coupled-cluster and configuration-interaction calculations for odd-A heavy nuclei

Dealing with chemical reaction pathways and electronic excitations in molecular systems via renormalized and active-space coupled-cluster methods

A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects

Left-eigenstate completely renormalized equation-of-motion coupled-cluster methods: Review of key concepts, extension to excited states of open-shell systems, and comparison with electron-attached and ionized approaches

Stabilization of New Forms of the Intermetallic Phases β-RENiGe2 (RE = Dy, Ho, Er, Tm, Yb, Lu) in Liquid Indium

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