Sentences with phrase «of electronic excitations»

An accurate computational description of electronic excitations and charge - transfer processes that underlie e.g. next - generation energy - conversion, energy - storage, and catalytic systems through time - dependent quantum - mechanical theory is one of the most desirable goals of computational science today!

The answers require observing the dynamics of electronic excitations or of molecules themselves as they explore spatially heterogeneous landscapes in condensed phase systems,» Ginsberg says.

Don V says: March 5, 2011 at 2:18 am In the visible spectrum you see a whole lot of electronic excitation states from all of the gases, and you clearly see one of CO2 ′ s signature excitation bands — the 7μ mode being excited by THE SUN.

In the visible spectrum you see a whole lot of electronic excitation states from all of the gases, and you clearly see one of CO2's signature excitation bands — the 7μ mode being excited by THE SUN.

Not exact matches

Saxena has an impressive list of international collaborations, invited talks, publications, and service on advisory boards, and was elected an American Physics Society Fellow in 2014 «for foundational contributions to phase transitions in functional materials and nonlinear excitations in low - dimensional electronic materials.»

11:30 Maximilian Menger: Excited state gradients in polarizable QM / MM models: an induced dipole formulation 11:50 Alireza Marefat Khah: Molecular gradients of polarizable Embedded RI - CC2 12:10 Daniele Loco: A QM / MM approach using the AMOEBA polarizable embedding: from ground state energies to electronic excitations

A team of scientists from ETH Zurich in Switzerland and the Max Planck Institute for the Structure and Dynamics of Matter (MPSD) in Hamburg have, for the first time, unraveled the electronic dynamical processes that occur upon excitation of electrons in gallium arsenide at the attosecond timescale.

Electronic excitations caused by ultraviolet radiation also produce changes in the colour and transparency of photosensitive and photochromic glasses.

The team directly simulated and measured the electronic excitation of various solvated ions in liquid water.

By combining first - principles molecular dynamics simulations with state - of - the - art electronic structure methods, the team could predict the excitation energies of the solvents and solutes, such as the ionization potentials of the solvated ions.

That process is not electronic excitation, as with visible light, but rather vibrational excitation, which is based on oscillation of the atoms in the molecule: