Quantum cluster theory for the polarizable continuum model. I. The CCSD level with analytical first and second derivatives

R. Cammi

doi:10.1063/1.3245400

Quantum cluster theory for the polarizable continuum model. I. The CCSD level with analytical first and second derivatives

The Journal of Chemical Physics ◽

10.1063/1.3245400 ◽

2009 ◽

Vol 131 (16) ◽

pp. 164104 ◽

Cited By ~ 62

Author(s):

R. Cammi

Keyword(s):

Continuum Model ◽

Polarizable Continuum Model ◽

Cluster Theory ◽

Second Derivatives ◽

Quantum Cluster ◽

Polarizable Continuum

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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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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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Quantum Cluster Theory for the Polarizable Continuum Model (PCM)

Handbook of Computational Chemistry ◽

10.1007/978-94-007-6169-8_28-2 ◽

2015 ◽

pp. 1-40

Author(s):

Roberto Cammi ◽

Jacopo Tomasi

Keyword(s):

Continuum Model ◽

Polarizable Continuum Model ◽

Cluster Theory ◽

Quantum Cluster ◽

Polarizable Continuum

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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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Efficient implementation of the analytical second derivatives of hartree–fock and hybrid DFT energies within the framework of the conductor‐like polarizable continuum model

Journal of Computational Chemistry ◽

10.1002/jcc.25833 ◽

2019 ◽

Vol 40 (20) ◽

pp. 1816-1828 ◽

Cited By ~ 3

Author(s):

Miquel Garcia‐Ratés ◽

Frank Neese

Keyword(s):

Continuum Model ◽

Polarizable Continuum Model ◽

Efficient Implementation ◽

Hartree Fock ◽

Second Derivatives ◽

Polarizable Continuum ◽

Derivatives Of

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Analytical second derivatives of excited-state energy within the time-dependent density functional theory coupled with a conductor-like polarizable continuum model

The Journal of Chemical Physics ◽

10.1063/1.4773397 ◽

2013 ◽

Vol 138 (2) ◽

pp. 024101 ◽

Cited By ~ 36

Author(s):

Jie Liu ◽

WanZhen Liang

Keyword(s):

Continuum Model ◽

Density Functional ◽

State Energy ◽

Polarizable Continuum Model ◽

Time Dependent ◽

Functional Theory ◽

Excited State Energy ◽

Second Derivatives ◽

Polarizable Continuum ◽

Derivatives Of

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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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Second-order Mø øller–Plesset second derivatives for the polarizable continuum model: theoretical bases and application to solvent effects in electrophilic bromination of ethylene

Theoretical Chemistry Accounts ◽

10.1007/s00214-003-0521-8 ◽

2004 ◽

Vol 111 (2-6) ◽

pp. 66-77 ◽

Cited By ~ 8

Author(s):

Roberto Cammi ◽

Benedetta Mennucci ◽

Christian Pomelli ◽

Chiara Cappelli ◽

Stefano Corni ◽

...

Keyword(s):

Solvent Effects ◽

Continuum Model ◽

Polarizable Continuum Model ◽

Second Order ◽

Second Derivatives ◽

Electrophilic Bromination ◽

Polarizable Continuum

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