1.3k citations
- Lawrence Berkeley National LaboratoryUS185 papers
- University of California, BerkeleyUS86 papers
- Kavli Energy NanoScience InstituteUS35 papers
- Advanced Light Source12 papers
- Centre National de la Recherche ScientifiqueFR9 papers
- Columbia UniversityUS8 papers
- Weizmann Institute of ScienceIL8 papers
- Commissariat à l'Énergie Atomique et aux Énergies AlternativesFR6 papers
- Foundry (United Kingdom)GB6 papers
- National Institute for Materials ScienceJP6 papers
- Technical University of MunichDE6 papers
- University of PennsylvaniaUS6 papers
6 papers · 1 filter
Interplay between ultrafast electronic and librational dynamics in liquid nitrobenzene probed with two-color four-wave mixing
Niranjan Shivaram, Richard Thurston, Ali Belkacem +3
We present an experimental and theoretical study of the interplay between ultrafast electron dynamics and librational dynamics in liquid nitrobenzene. A femtosecond ultraviolet pul…
Ultrafast dynamics of excited electronic states in nitrobenzene measured by ultrafast transient polarization spectroscopy
Richard Thurston, Matthew M. Brister, Liang Z. Tan +7
We investigate ultrafast dynamics of the lowest singlet excited electronic state in liquid nitrobenzene using Ultrafast Transient Polarization Spectroscopy (UTPS), extending the we…
Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules
Kristian Berland, Yang Jiao, Jung-Hoon Lee +3
Two hybrid van der Waals density functionals (vdW-DFs) are constructed using 25%, Fock exchange with i) the consistent-exchange vdW-DF-cx functional and ii) with the vdW-DF2 functi…
Selective gas capture via kinetic trapping
Joyjit Kundu, Tod Pascal, David Prendergast +1
Conventional approaches to the capture of CO_2 by metal-organic frameworks focus on equilibrium conditions, and frameworks that contain little CO_2 in equilibrium are often rejecte…
Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the Oligoacenes
Tonatiuh Rangel, Samia M. Hamed, Fabien Bruneval +1
Charged excitations of the oligoacene family of molecules, relevant for astrophysics and technological applications, are widely studied and therefore provide an excellent system fo…
Ab initio study of charge doping effect on 1D polymerization of C60
Roberta Poloni, Alfonso San Miguel, Maria Victoria Fernandez-Serra
We study the interplay between charge doping and intermolecular distance in the polymerization of C60 fullerene chains by means of density functional theory (DFT)-based first princ…