361 related articles for article (PubMed ID: 23901969)
1. A comparison between state-specific and linear-response formalisms for the calculation of vertical electronic transition energy in solution with the CCSD-PCM method.
Caricato M
J Chem Phys; 2013 Jul; 139(4):044116. PubMed ID: 23901969
[TBL] [Abstract][Full Text] [Related]
2. Absorption and Emission Spectra of Solvated Molecules with the EOM-CCSD-PCM Method.
Caricato M
J Chem Theory Comput; 2012 Nov; 8(11):4494-502. PubMed ID: 26605609
[TBL] [Abstract][Full Text] [Related]
3. Exploring Potential Energy Surfaces of Electronic Excited States in Solution with the EOM-CCSD-PCM Method.
Caricato M
J Chem Theory Comput; 2012 Dec; 8(12):5081-91. PubMed ID: 26593199
[TBL] [Abstract][Full Text] [Related]
4. Electronic excitation energies in solution at equation of motion CCSD level within a state specific polarizable continuum model approach.
Caricato M; Mennucci B; Scalmani G; Trucks GW; Frisch MJ
J Chem Phys; 2010 Feb; 132(8):084102. PubMed ID: 20192285
[TBL] [Abstract][Full Text] [Related]
5. Implementation of the CCSD-PCM linear response function for frequency dependent properties in solution: application to polarizability and specific rotation.
Caricato M
J Chem Phys; 2013 Sep; 139(11):114103. PubMed ID: 24070275
[TBL] [Abstract][Full Text] [Related]
6. Brueckner doubles coupled cluster method with the polarizable continuum model of solvation.
Caricato M; Scalmani G; Frisch MJ
J Chem Phys; 2011 Jun; 134(24):244113. PubMed ID: 21721618
[TBL] [Abstract][Full Text] [Related]
7. Vertical Electronic Excitations in Solution with the EOM-CCSD Method Combined with a Polarizable Explicit/Implicit Solvent Model.
Caricato M; Lipparini F; Scalmani G; Cappelli C; Barone V
J Chem Theory Comput; 2013 Jul; 9(7):3035-3042. PubMed ID: 26504458
[TBL] [Abstract][Full Text] [Related]
8. Calculations of Electronic Excitation Energies and Excess Electric Dipole Moments of Solvated p-Nitroaniline with the EOM-CCSD-PCM Method.
Lu SI; Gao LT
J Phys Chem A; 2018 Jul; 122(29):6062-6070. PubMed ID: 29953231
[TBL] [Abstract][Full Text] [Related]
9. Symmetry-adapted cluster and symmetry-adapted cluster-configuration interaction method in the polarizable continuum model: theory of the solvent effect on the electronic excitation of molecules in solution.
Cammi R; Fukuda R; Ehara M; Nakatsuji H
J Chem Phys; 2010 Jul; 133(2):024104. PubMed ID: 20632745
[TBL] [Abstract][Full Text] [Related]
10. On the Importance of the Orbital Relaxation in Ground-State Coupled Cluster Calculations in Solution with the Polarizable Continuum Model of Solvation.
Caricato M; Scalmani G
J Chem Theory Comput; 2011 Dec; 7(12):4012-8. PubMed ID: 26598347
[TBL] [Abstract][Full Text] [Related]
11. Electronic excitation energies of molecules in solution within continuum solvation models: investigating the discrepancy between state-specific and linear-response methods.
Corni S; Cammi R; Mennucci B; Tomasi J
J Chem Phys; 2005 Oct; 123(13):134512. PubMed ID: 16223319
[TBL] [Abstract][Full Text] [Related]
12. An EOM-CCSD-PCM Benchmark for Electronic Excitation Energies of Solvated Molecules.
Ren S; Harms J; Caricato M
J Chem Theory Comput; 2017 Jan; 13(1):117-124. PubMed ID: 27973775
[TBL] [Abstract][Full Text] [Related]
13. A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution.
Improta R; Barone V; Scalmani G; Frisch MJ
J Chem Phys; 2006 Aug; 125(5):054103. PubMed ID: 16942199
[TBL] [Abstract][Full Text] [Related]
14. Electronic excitation energies of molecules in solution: state specific and linear response methods for nonequilibrium continuum solvation models.
Cammi R; Corni S; Mennucci B; Tomasi J
J Chem Phys; 2005 Mar; 122(10):104513. PubMed ID: 15836338
[TBL] [Abstract][Full Text] [Related]
15. Excited State Geometries and Vertical Emission Energies of Solvated Dyes for DSSC: A PCM/TD-DFT Benchmark Study.
Bernini C; Zani L; Calamante M; Reginato G; Mordini A; Taddei M; Basosi R; Sinicropi A
J Chem Theory Comput; 2014 Sep; 10(9):3925-33. PubMed ID: 26588536
[TBL] [Abstract][Full Text] [Related]
16. CCSD-PCM: improving upon the reference reaction field approximation at no cost.
Caricato M
J Chem Phys; 2011 Aug; 135(7):074113. PubMed ID: 21861562
[TBL] [Abstract][Full Text] [Related]
17. Implicit solvation in domain based pair natural orbital coupled cluster (DLPNO-CCSD) theory.
Garcia-Ratés M; Becker U; Neese F
J Comput Chem; 2021 Oct; 42(27):1959-1973. PubMed ID: 34347890
[TBL] [Abstract][Full Text] [Related]
18. Coupled Cluster Theory with Induced Dipole Polarizable Embedding for Ground and Excited States.
Ren S; Lipparini F; Mennucci B; Caricato M
J Chem Theory Comput; 2019 Aug; 15(8):4485-4496. PubMed ID: 31265278
[TBL] [Abstract][Full Text] [Related]
19. Quantum cluster theory for the polarizable continuum model. I. The CCSD level with analytical first and second derivatives.
Cammi R
J Chem Phys; 2009 Oct; 131(16):164104. PubMed ID: 19894924
[TBL] [Abstract][Full Text] [Related]
20. Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory.
Howard JC; Womack JC; Dziedzic J; Skylaris CK; Pritchard BP; Crawford TD
J Chem Theory Comput; 2017 Nov; 13(11):5572-5581. PubMed ID: 28968495
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]