Coupled cluster theory with the polarizable continuum model of solvation

Marco Caricato

doi:10.1002/qua.25710

Coupled cluster theory with the polarizable continuum model of solvation

International Journal of Quantum Chemistry ◽

10.1002/qua.25710 ◽

2018 ◽

Vol 119 (1) ◽

pp. e25710 ◽

Cited By ~ 5

Author(s):

Marco Caricato

Keyword(s):

Continuum Model ◽

Polarizable Continuum Model ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Polarizable Continuum

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On Two Recent Developments in the Description of Molecular Properties in Solution by Using the Polarizable Continuum Model (PCM): The Coupled-Cluster Theory and the Molecules at Extreme Pressures

Practical Aspects of Computational Chemistry II ◽

10.1007/978-94-007-0923-2_1 ◽

2012 ◽

pp. 1-17 ◽

Cited By ~ 1

Author(s):

R. Cammi

Keyword(s):

Continuum Model ◽

Polarizable Continuum Model ◽

Molecular Properties ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Recent Developments ◽

Polarizable Continuum

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Linear response coupled cluster theory with the polarizable continuum model within the singles approximation for the solvent response

The Journal of Chemical Physics ◽

10.1063/1.5021781 ◽

2018 ◽

Vol 148 (13) ◽

pp. 134113 ◽

Cited By ~ 6

Author(s):

Marco Caricato

Keyword(s):

Linear Response ◽

Continuum Model ◽

Polarizable Continuum Model ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Polarizable Continuum

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Coupled-cluster theory for the polarizable continuum model. III. A response theory for molecules in solution

International Journal of Quantum Chemistry ◽

10.1002/qua.23271 ◽

2012 ◽

Vol 112 (13) ◽

pp. 2547-2560 ◽

Cited By ~ 26

Author(s):

R. Cammi

Keyword(s):

Continuum Model ◽

Polarizable Continuum Model ◽

Coupled Cluster ◽

Response Theory ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Polarizable Continuum

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On the Importance of the Orbital Relaxation in Ground-State Coupled Cluster Calculations in Solution with the Polarizable Continuum Model of Solvation

Journal of Chemical Theory and Computation ◽

10.1021/ct2006677 ◽

2011 ◽

Vol 7 (12) ◽

pp. 4012-4018 ◽

Cited By ~ 8

Author(s):

Marco Caricato ◽

Giovanni Scalmani

Keyword(s):

Ground State ◽

Continuum Model ◽

Polarizable Continuum Model ◽

Coupled Cluster ◽

Cluster Calculations ◽

Orbital Relaxation ◽

Polarizable Continuum ◽

Coupled Cluster Calculations

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Quantum Cluster Theory for the Polarizable Continuum Model (PCM)

Handbook of Computational Chemistry ◽

10.1007/978-94-007-0711-5_28 ◽

2012 ◽

pp. 1043-1066 ◽

Cited By ~ 1

Author(s):

Roberto Cammi ◽

Jacopo Tomasi

Keyword(s):

Continuum Model ◽

Polarizable Continuum Model ◽

Cluster Theory ◽

Quantum Cluster ◽

Polarizable Continuum

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Recent Advances in the Coupled-Cluster Analytical Derivatives Theory for Molecules in Solution Described With the Polarizable Continuum Model (PCM)

Advances in Quantum Chemistry Volume 64 - Advances in Quantum Chemistry ◽

10.1016/b978-0-12-396498-4.00001-6 ◽

2012 ◽

pp. 1-29 ◽

Cited By ~ 4

Author(s):

Roberto Cammi

Keyword(s):

Continuum Model ◽

Polarizable Continuum Model ◽

Coupled Cluster ◽

Recent Advances ◽

Analytical Derivatives ◽

Polarizable Continuum

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Brueckner doubles coupled cluster method with the polarizable continuum model of solvation

The Journal of Chemical Physics ◽

10.1063/1.3604560 ◽

2011 ◽

Vol 134 (24) ◽

pp. 244113 ◽

Cited By ~ 19

Author(s):

Marco Caricato ◽

Giovanni Scalmani ◽

Michael J. Frisch

Keyword(s):

Continuum Model ◽

Polarizable Continuum Model ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Polarizable Continuum

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Coupled Cluster Calculations in Solution with the Polarizable Continuum Model of Solvation

The Journal of Physical Chemistry Letters ◽

10.1021/jz1007593 ◽

2010 ◽

Vol 1 (15) ◽

pp. 2369-2373 ◽

Cited By ~ 36

Author(s):

Marco Caricato ◽

Giovanni Scalmani ◽

Gary W. Trucks ◽

Michael J. Frisch

Keyword(s):

Continuum Model ◽

Polarizable Continuum Model ◽

Coupled Cluster ◽

Cluster Calculations ◽

Polarizable Continuum ◽

Coupled Cluster Calculations

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Coupled-cluster theories for the polarizable continuum model. II. Analytical gradients for excited states of molecular solutes by the equation of motion coupled-cluster method

International Journal of Quantum Chemistry ◽

10.1002/qua.22884 ◽

2010 ◽

Vol 110 (15) ◽

pp. 3040-3052 ◽

Cited By ~ 34

Author(s):

R. Cammi

Keyword(s):

Excited States ◽

Continuum Model ◽

Equation Of Motion ◽

Polarizable Continuum Model ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Polarizable Continuum ◽

Analytical Gradients

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Quantum Cluster Theory for the Polarizable Continuum Model (PCM)

Handbook of Computational Chemistry ◽

10.1007/978-3-319-27282-5_28 ◽

2017 ◽

pp. 1517-1556

Author(s):

Roberto Cammi ◽

Jacopo Tomasi

Keyword(s):

Continuum Model ◽

Polarizable Continuum Model ◽

Cluster Theory ◽

Quantum Cluster ◽

Polarizable Continuum

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