Search for tag: "density function"

3 Media

Core level EELS simulations duration 51 minutes 19 seconds Core level EELS simulations Core level EELS simulations	Core level EELS simulations 2017 PARADIM Core level EELS simulations Frank deGroot element specific completely dominated dipole approximation electoral vote e.g. fine structure spin orbit small peak i.t.c. density function tradition metal transfer system operator crystal feel field splitting crystal field splitting nano reactors choose numbers primary energy spin ground operating condition atomic physics nano particles starting point nice thing atomic calculation room temperature particle calculation i.t.c. superconductor empirical parameter field theory electron microscope open shell systems group theory spectral shape empty density caption complete 1st principles high spin p.c. low spin model hamiltonian manganese oxide e.d.s. electron electron interaction position metal perfect fit chemical reactor energy difference atomic resolution energy loss core electron metal oxides density functional crystal field larger ray absorption crystal field small momentum transfer final phase core level functional calculation atomic spectrum electron volts hard experience single particle fine tune selection rule single particle calculation golden rule From James Overhiser 271 plays
Vibrational properties and phonons in DFT… duration 42 minutes 46 seconds Vibrational properties and phonons in DFT… Vibrational properties and phonons in DFT (Lecture 4.1)	Vibrational properties and phonons in DFT (Lecture 4.1) 2016 PARADIM SUMMER SCHOOL Feliciano Giustino - Lecture 4.1 force game mode 2nd atom bit larger energy concepts in physics difficult relations hearing elementary special functions sound wave equation reference frame medical terminology water molecule statistics planetary science web colors atomic physics d.f.t. pressure waves molecules special relations 2nd derivative caption complete arithmetic physical chemistry i.q. energy scale special directions blue circles secondary bodies mathematical analysis blue dots cartesian directions functions and mappings equations elementary mathematics equations of physics sound physical quantities chemistry mechanical vibrations condensed matter physics acoustics called density function chemical processes berlin zone matter square root total energy atoms find basically euclidean geometry harmonic approximation force constant From James Overhiser 377 plays
Density Functional Theory (Lecture 2.1) 2016 duration 54 minutes 29 seconds Density Functional Theory (Lecture 2.1) 2016 Density Functional Theory (Lecture 2.1) 2016	Density Functional Theory (Lecture 2.1) 2016 2016 PARADIM SUMMER SCHOOL Feliciano Giustino - Lecture 2.1 mechanics state functions lower energy energy energy (physics) correlation energy forms of energy particle wave function mathematical terminology quantum mechanics density function theory particle physics body wave function exchange correlation formal introduction lowest energy complex number electron density constant density exchange energy functional theory starting point d.f.t. local density approximation single particle wave discussed yesterday potential coming kinetic energy actual calculations total energy atomic physics shooting equation caption complete good news oral communication concepts in physics f.t. electron quantum chemistry people call blah blah 1st thing physical quantities wave function types of functions function equal homogeneous electron energy times nuclear potential teaching function theory From James Overhiser 843 plays