We briefly review the different ab initio methods that have been introduced for the calculation of excited-state polarizabilities of molecules in solution. Emphasis is put on the conceptual differences between the methods, emphasizing the strengths and weaknesses of the different approaches. A general discussion of the use of dielectric continuum methods in the modeling of linear and non-linear electric properties of ground- and excited state polarizabilities is given. Particular attention is given to the notion of equilibrium and non-equilibrium solvation models. We discuss the results of the few theoretical calculations that have been presented in the literature at the time of this review, and also give a few new results
We present a formal comparison between the two different approaches to the calculation of electronic...
The validity of the minimum polarizability principle upon electronic excitation is studied as a comp...
This paper provides an overview of recent research activities concerning the quantum-mechanical desc...
The computational study of excited states of molecular systems in a condensed phase introduces prob...
The computational study of excited states of molecular systems in a condensed phase introduces pr...
Author Institution: Gaussian, Inc., 340 Quinnipiac St., Bldg 40, Wallingford, CT 06492Electronic exc...
A linear response of a molecule in excited state to an external electric field is discussed in terms...
In this paper a novel approach to study the formation and relaxation of excited states in solution i...
Aiming to assess the environmental effects on the dipole moments and polarizabilities of electronica...
We present a method to evaluate ab initio energy, wave function, and gradient of a solvated molecule...
The theoretical determination of excited-state structures remains an active field of research, as th...
International audienceThe theoretical determination of excited-state structures remains an active fi...
In this paper a novel approach to study the formation and relaxation of excited states in solution ...
Aiming to assess the environmental effects on the dipole moments and polarizabilities of electronica...
In this paper, time-dependent density functional theory (TDDFT) calculations of excited state polari...
We present a formal comparison between the two different approaches to the calculation of electronic...
The validity of the minimum polarizability principle upon electronic excitation is studied as a comp...
This paper provides an overview of recent research activities concerning the quantum-mechanical desc...
The computational study of excited states of molecular systems in a condensed phase introduces prob...
The computational study of excited states of molecular systems in a condensed phase introduces pr...
Author Institution: Gaussian, Inc., 340 Quinnipiac St., Bldg 40, Wallingford, CT 06492Electronic exc...
A linear response of a molecule in excited state to an external electric field is discussed in terms...
In this paper a novel approach to study the formation and relaxation of excited states in solution i...
Aiming to assess the environmental effects on the dipole moments and polarizabilities of electronica...
We present a method to evaluate ab initio energy, wave function, and gradient of a solvated molecule...
The theoretical determination of excited-state structures remains an active field of research, as th...
International audienceThe theoretical determination of excited-state structures remains an active fi...
In this paper a novel approach to study the formation and relaxation of excited states in solution ...
Aiming to assess the environmental effects on the dipole moments and polarizabilities of electronica...
In this paper, time-dependent density functional theory (TDDFT) calculations of excited state polari...
We present a formal comparison between the two different approaches to the calculation of electronic...
The validity of the minimum polarizability principle upon electronic excitation is studied as a comp...
This paper provides an overview of recent research activities concerning the quantum-mechanical desc...