211 citations
- Centre National de la Recherche ScientifiqueFR4 papers
- Laboratoire de Chimie ThéoriqueFR3 papers
- Bangladesh Atomic Energy CommissionBD1 paper
- Chimie ParisTechFR1 paper
- Institut des Sciences Moléculaires d'OrsayFR1 paper
- Instituto de Química-Física de los Materiales, Medio Ambiente y EnergíaAR1 paper
- INTI International UniversityMY1 paper
- Jahangirnagar UniversityBD1 paper
- Khulna UniversityBD1 paper
- Nilai UniversityMY1 paper
- Universidad de Buenos AiresAR1 paper
- Université Paris-SudFR1 paper
5 papers
Optimization of Neon Soft X-ray Emission in Low Energy Dense Plasma Focus Device
M. A. Malek, M. K. Islam, M. Salahuddin
The Lee model code is used in numerical experiments for characterizing and optimizing neon soft X-ray (Ysxr) yield of UNU/ICTP PFF machine operated at 14 kV and 30 micro F. The neo…
A multiconfigurational hybrid density-functional theory
Kamal Sharkas, Andreas Savin, Hans Jørgen Aa. Jensen +1
We propose a multiconfigurational hybrid density-functional theory which rigorously combines a multiconfiguration self-consistent-field calculation with a density-functional approx…
Electronic excited state of protonated aromatic molecules: protonated Fluorene
Ivan Alata, Michel Broquier, Claude Dedonder +2
The photo-fragmentation spectrum of protonated fluorene has been recorded in the visible spectral region, largely red shifted as compared to the first excited state absorption of n…
Rationale for a new class of double-hybrid approximations in density-functional theory
Julien Toulouse, Kamal Sharkas, Eric Brémond +1
We provide a rationale for a new class of double-hybrid approximations introduced by Brémond and Adamo [J. Chem. Phys. 135, 024106 (2011)] which combine an exchange-correlation den…
Double-hybrid density-functional theory made rigorous
Kamal Sharkas, Julien Toulouse, Andreas Savin
We provide a rigorous derivation of a class of double-hybrid approximations, combining Hartree-Fock exchange and second-order Moller-Plesset correlation with a semilocal exchange-c…