This FORTRAN 90 program implements the Full Cumulant Expansion method for the calculation of absorption and circular dichroism spectra of multichromophoric systems. The program refers to the implementation in Cupellini, Lipparini, and Cao, "Absorption and Circular Dichroism Spectra of Molecular Aggregates with the Full Cumulant Expansion.", J. Phys. Chem. B 2020, 124, 39, 8610–8617, https://pubs.acs.org/doi/10.1021/acs.jpcb.0c05180 The theory of FCE is described in Ma and Cao, J. Chem. Phys. 2015, 142, 09410
The effect of a condensed-phase environment on the ultraviolet-visible (UV-vis) absorption spectra o...
The goal of the work presented in this thesis was to develop and implement a method for calculating ...
Title: Magnetic circular dichroism and aromatic compounds Author: Petr Štěpánek Department/Institute...
Copyright © 2020 American Chemical Society. The exciton Hamiltonian of multichromophoric aggregates ...
We study the Förster resonant energy transfer rate, absorption and emission spectra in multichromoph...
A method to calculate the circular dichroism (CD) spectra of macromolecules has been developed. The ...
Recently, a method to calculate the absorption and circular dichroism (CD) spectra based on the exci...
As a result o f my seminar project, Predicting Circular Dichroism Spectra from Absorption Spectra Pa...
When calculating the optical absorption spectra of molecular crystals from first principles, the inf...
We develop a hybrid cumulant expansion method to account for the system-bath entanglement in the emi...
Le but principal de cette thèse était de calculer les spectres de dichroïsme circulaire magnétique d...
This work presents first-principles calculations of long-range intermolecular dispersion energies be...
This thesis is titled ’Derivation and application of response functions for nonlinear absorption and...
Abstract When existing, cumulants can provide valuable information about a given distribution and ca...
The accuracy of approximate methods for calculating linear optical spectra depends on many variables...
The effect of a condensed-phase environment on the ultraviolet-visible (UV-vis) absorption spectra o...
The goal of the work presented in this thesis was to develop and implement a method for calculating ...
Title: Magnetic circular dichroism and aromatic compounds Author: Petr Štěpánek Department/Institute...
Copyright © 2020 American Chemical Society. The exciton Hamiltonian of multichromophoric aggregates ...
We study the Förster resonant energy transfer rate, absorption and emission spectra in multichromoph...
A method to calculate the circular dichroism (CD) spectra of macromolecules has been developed. The ...
Recently, a method to calculate the absorption and circular dichroism (CD) spectra based on the exci...
As a result o f my seminar project, Predicting Circular Dichroism Spectra from Absorption Spectra Pa...
When calculating the optical absorption spectra of molecular crystals from first principles, the inf...
We develop a hybrid cumulant expansion method to account for the system-bath entanglement in the emi...
Le but principal de cette thèse était de calculer les spectres de dichroïsme circulaire magnétique d...
This work presents first-principles calculations of long-range intermolecular dispersion energies be...
This thesis is titled ’Derivation and application of response functions for nonlinear absorption and...
Abstract When existing, cumulants can provide valuable information about a given distribution and ca...
The accuracy of approximate methods for calculating linear optical spectra depends on many variables...
The effect of a condensed-phase environment on the ultraviolet-visible (UV-vis) absorption spectra o...
The goal of the work presented in this thesis was to develop and implement a method for calculating ...
Title: Magnetic circular dichroism and aromatic compounds Author: Petr Štěpánek Department/Institute...