Search for tag: "atomic calculation"

51:19 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 on February 15th, 2019 8 plays
50:41 3.1 Automatic optimization of crystal structure… 3.1 Automatic optimization of crystal structure and elastic constants	3.1 Automatic optimization of crystal structure and elastic constants 2016 PARADIM SUMMER SCHOOL Feliciano Giustino - Lecture 3.3 gnu project software elastic constants force point calculation concepts in physics x.y.z.dos on ibm pc compatibles calculation type cybernetics copy paste mathematical terminology plane wave caption complete computer file systems windows software matter writing input/output systems unix common teaching bye c.p.u. number molecules systems theory c.p.u.largest plane basically pretty standard 1st thing copyright law working directory atomic positions input file bye bye output file entire file thing interactive session pedagogy chemistry wave function microsoft From James Overhiser on February 15th, 2019 47 plays
52:13 5.1 Band Structure & Optical Spectra -… 5.1 Band Structure & Optical Spectra - Lecture 5.1	5.1 Band Structure & Optical Spectra - Lecture 5.1 2016 PARADIM SUMMER SCHOOL Feliciano Giustino - Lecture 5.1 country subdivisions 1st green zone point calculation energy philosophical terminology concepts in physics family level bunch structure measurement mathematical terminology quantum mechanics caption complete surfaces complex analysis quantum chemistry family surface energy conservation computational chemistry quasiparticles continuum mechanics systems theory quantum oscillations d.f.t.kinetic energy topology negative charge semiconductors total energy people discuss entire thing electronics terminology f.t.time consuming elementary shapes differential topology basically elementary geometry iraq war geometric shapes conduction band energy policy federal level physical quantities geography terminology condensed matter physics firmly set light photon energy experimental absorption atomic structure thing plasma physics elementary mathematics optical absorption From James Overhiser on February 15th, 2019 30 plays
51:49 1.1 Connecting to MARCC, basic Linux commands,… 1.1 Connecting to MARCC, basic Linux commands, and a test run	1.1 Connecting to MARCC, basic Linux commands, and a test run 2016 PARADIM SUMMER SCHOOL Feliciano Giustino - Lecture 1.3 summer copy paste p.d.f.calculation energy concepts in physics unix cybernetics linux caption complete discontinued operating systems prefixes open source application layer protocols atomic physics systems theory standard calculation input/output internet programming language implementation standard output n.p.r.sun microsystems software total energy quarter quarter pseudo potential u.r.l.c.p.u.supercomputer 1st time unix software basically file called secure shell 1st thing semantics physical quantities input file density functional theory output file quantum espresso f.c.c.f.c.c. structure thought thing directory object-oriented programming languages integrated development environments From James Overhiser on February 14th, 2019 71 plays
41:15 Plane Waves and Pseudopotentials- Lecture 2.2 Plane Waves and Pseudopotentials- Lecture 2.2	Plane Waves and Pseudopotentials- Lecture 2.2 2016 PARADIM SUMMER SCHOOL Feliciano Giustino - Lecture 2.2 mechanics time needed differential equations point energy concepts in physics 2nd order calculation time reference frame caption complete water molecule differential equation quantum chemistry economics terminology types of functions web colors oral communication quantum mechanics local density approximation molecules microeconomics teaching time consuming total energy atomic physics function pseudo potential previous lecture commerce f.t.continuum mechanics quantum number plane wave boundary condition english-language journals optical spectrum basically kinetic energy fluid dynamics functions and mappings physiology semantics physical quantities chemistry energy development partial differential equations absolutely critical criminal law thought matter mass f.d.a.elementary mathematics binding energy wave function nuclear potential From James Overhiser on February 14th, 2019 37 plays
43:38 DFT: Elastic Properties (Lecture 3.2) DFT: Elastic Properties (Lecture 3.2)	DFT: Elastic Properties (Lecture 3.2) 2018 PARADIM SUMMER SCHOOL Lecture 3.2 Elastic properties mechanics total potential energy state functions force engineering strain calculation philosophical logic philosophical terminology concepts in physics number forms of energy g.p.s.main problem mathematical terminology elastic constant caption complete fluid dynamics political philosophy continuum mechanics systems theory high pressure thermodynamics periscope structure variable pressure 2nd derivative g.p.a.atomic positions energy total energy strain tensor materials science external force good news basically stress independent constant functions and mappings logical consequence basically classical mechanics 1st derivative interpersonal relationships thing stress tensor materials young model From James Overhiser on February 14th, 2019 23 plays
35:29 DFT: Equilibrium structure and binding energy of… DFT: Equilibrium structure and binding energy of a diatomic molecule Cl2 (Tutorial 2.1)	DFT: Equilibrium structure and binding energy of a diatomic molecule Cl2 (Tutorial 2.1) 2018 PARADIM SUMMER SCHOOL Lab 2 state functions bond lengths point calculation communication smallest energy philosophical terminology concepts in physics number approximation input file chemical elements self-consistent final energy mathematical terminology reference frame top-level domains caption complete atomic physics quantum mechanics experiment scientific terminology systems input/output parameter energy total energy molecule plane wave electron basically general statement dissociation energy systems theory configuration classical mechanics structure chemical bond properties physical quantities clothing item length mass cybernetics wave function chlorine molecule From James Overhiser on February 14th, 2019 37 plays
25:24 DFT: Band structure, and visualizing Kohn-Sham… DFT: Band structure, and visualizing Kohn-Sham wavefunctions of Si, and calculation of UV/Vis spectra of GaAs (Tutorial 5.1)	DFT: Band structure, and visualizing Kohn-Sham wavefunctions of Si, and calculation of UV/Vis spectra of GaAs (Tutorial 5.1) 2018 PARADIM SUMMER SCHOOL Lab 5 summer aesthetics c.f. calculation point calculation quantum espresso master concepts in physics greek letters fermi energy calculation type chemical elements cybernetics symmetries quantum mechanics tools musical quintets quantum chemistry import file atomic physics systems theory non-self consistent calculation c.f.reducing agents systems p.p.japanese-language singers caption complete f.t.vowel letters gamma point semiconductor materials silicon atoms collaboration statistical terminology p.w.computational chemistry software structure post processing tool metalloids change input file condensed matter physics wave function input/output thing summer school dielectric function electronic band structures things change From James Overhiser on February 14th, 2019 41 plays
10:20 Marcus Marracci 2018 Marcus Marracci 2018	Marcus Marracci 2018 indirect bandgap aesthetics calculation semiconductors metals approximation characterize chemical elements raman spectroscopy photo detector mathematical terminology transition metals small grain vibrational modes refractory metals model layers algebra web colors tungsten deisel continuum mechanics fiction metal source d.f.t.biology and pharmacology of chemical elements transition metal optical microscopy caption complete calculate electronic band electronic band structures atomic position paradigm users optical spectrum electron electron states laser light structure s.c.m.condensed matter physics grain size microscopy thought dietary minerals length atomic number spectroscopy minimum energy geometries From Rebecca Vliet on February 5th, 2019 3 plays
01:09:34 Kotliar2.mp4 Kotliar2.mp4	Kotliar2.mp4 chemistry state functions probability people calculation statistical mechanics energy philosophical terminology superconductors spanish language cybernetics oral communication algorithms scattering particle physics caption complete steam power p.c.ontology quantum chemistry interesting algebra creativity system atomic physics quantum mechanics thermodynamics d.f.t.potential interrogative words and phrases p.f.d.order theory unsolved problems in physics teaching topology parameter method physical chemistry phase transitions materials science nuclear physics statistical terminology experiment superconductivity concepts in physics material quantum field theory differential topology experimentalist electron metals compound g.w.functions and mappings classical mechanics structure historiography physical quantities piece condensed matter physics educational psychology cognition physical cosmology magnetism tokamaks thought thing phases of matter materials mass theory correlation i.c.u.quantum mechanical personality embedded systems spintronics theoretical computer science From Rebecca Vliet on September 12th, 2018 6 plays
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