Electronic excitations: density-functional versus many-body Green's-function approaches
Electronic excitations lie at the origin of most of the commonly measured spectra. However,
the first-principles computation of excited states requires a larger effort than ground-state …
the first-principles computation of excited states requires a larger effort than ground-state …
The Bethe–Salpeter equation formalism: From physics to chemistry
X Blase, I Duchemin, D Jacquemin… - The Journal of Physical …, 2020 - ACS Publications
The Bethe–Salpeter equation (BSE) formalism is steadily asserting itself as a new efficient
and accurate tool in the ensemble of computational methods available to chemists in order …
and accurate tool in the ensemble of computational methods available to chemists in order …
New tools for the systematic analysis and visualization of electronic excitations. I. Formalism
A variety of density matrix based methods for the analysis and visualization of electronic
excitations are discussed and their implementation within the framework of the algebraic …
excitations are discussed and their implementation within the framework of the algebraic …
Electron-hole excitations and optical spectra from first principles
M Rohlfing, SG Louie - Physical Review B, 2000 - APS
We present a recently developed approach to calculate electron-hole excitations and the
optical spectra of condensed matter from first principles. The key concept is to describe the …
optical spectra of condensed matter from first principles. The key concept is to describe the …
Device physics of solution‐processed organic field‐effect transistors
H Sirringhaus - Advanced Materials, 2005 - Wiley Online Library
Field‐effect transistors based on solution‐processible organic semiconductors have
experienced impressive improvements in both performance and reliability in recent years …
experienced impressive improvements in both performance and reliability in recent years …
Tensor product methods and entanglement optimization for ab initio quantum chemistry
The treatment of high‐dimensional problems such as the Schrödinger equation can be
approached by concepts of tensor product approximation. We present general techniques …
approached by concepts of tensor product approximation. We present general techniques …
The Bethe–Salpeter equation in chemistry: relations with TD-DFT, applications and challenges
X Blase, I Duchemin, D Jacquemin - Chemical Society Reviews, 2018 - pubs.rsc.org
We review the many-body Green's function Bethe–Salpeter equation (BSE) formalism that is
rapidly gaining importance for the study of the optical properties of molecular organic …
rapidly gaining importance for the study of the optical properties of molecular organic …
Reference energies for intramolecular charge-transfer excitations
With the aim of completing our previous efforts devoted to local and Rydberg transitions in
organic compounds, we provide a series of highly accurate vertical transition energies for …
organic compounds, we provide a series of highly accurate vertical transition energies for …
[کتاب][B] Organic field-effect transistors
The remarkable development of organic thin film transistors (OTFTs) has led to their
emerging use in active matrix flat-panel displays, radio frequency identification cards, and …
emerging use in active matrix flat-panel displays, radio frequency identification cards, and …
Cubic-Scaling All-Electron GW Calculations with a Separable Density-Fitting Space–Time Approach
I Duchemin, X Blase - Journal of Chemical Theory and …, 2021 - ACS Publications
We present an implementation of the GW space–time approach that allows cubic-scaling all-
electron calculations with standard Gaussian basis sets without exploiting any localization or …
electron calculations with standard Gaussian basis sets without exploiting any localization or …