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

Molecular Properties ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Recent Developments ◽

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 ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

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 ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

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 ◽

Coupled Cluster ◽

Response Theory ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

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 ◽

Coupled Cluster ◽

Cluster Calculations ◽

Orbital Relaxation ◽

Polarizable Continuum ◽

Coupled Cluster Calculations

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 ◽

Cluster Theory ◽

Quantum Cluster ◽

COUPLED-CLUSTER THEORY: AN OVERVIEW OF RECENT DEVELOPMENTS

Modern Electronic Structure Theory - Advanced Series in Physical Chemistry ◽

10.1142/9789812832115_0005 ◽

1995 ◽

pp. 1047-1131 ◽

Cited By ~ 242

Author(s):

Rodney J. Bartlett

Keyword(s):

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Recent Developments

Molecular properties from the explicitly connected expressions of the response functions within the coupled-cluster theory

10.1016/bs.aiq.2021.05.009 ◽

2021 ◽

pp. 31-63

Author(s):

Aleksandra M. Tucholska ◽

Robert Moszynski

Keyword(s):

Molecular Properties ◽

Coupled Cluster ◽

Response Functions ◽

Coupled Cluster Theory ◽

Cluster Theory

Computational Modelling of the Solvent Effects on Molecular Properties: An Overview of the Polarizable Continuum Model (PCM) Approach

Computational Chemistry: Reviews of Current Trends ◽

10.1142/9789812564368_0001 ◽

2003 ◽

pp. 1-79 ◽

Cited By ~ 3

Author(s):

Roberto Cammi ◽

Benedetta Mennucci ◽

Jacopo Tomasi

Keyword(s):

Solvent Effects ◽

Continuum Model ◽

Computational Modelling ◽

Molecular Properties ◽

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 ◽

Coupled Cluster ◽

Recent Advances ◽

Analytical Derivatives ◽

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 ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽