Electronic Structure and PropertiesFrank Y. Fradin |
From inside the book
Results 1-3 of 50
Page 5
... correlation energy . Note that the LDF formalism in the form described above makes no claim on the physical significance of the eigenvalues e , in Eq . ( 1 ) ; hence we may concentrate only on ground - state crystal properties ...
... correlation energy . Note that the LDF formalism in the form described above makes no claim on the physical significance of the eigenvalues e , in Eq . ( 1 ) ; hence we may concentrate only on ground - state crystal properties ...
Page 27
... correlation Hartree- Superposition hkl model model model Experimental Focke model 111 3.062 3.273 3.281 3.32 3.29 3.005 220 1.936 1.992 1.995 1.98 1.93 1.964 311 1.656 1.720 1.692 1.66 1.69 1.760 222 0.066 0.137 0.139 0.144d 0.08 0.0 ...
... correlation Hartree- Superposition hkl model model model Experimental Focke model 111 3.062 3.273 3.281 3.32 3.29 3.005 220 1.936 1.992 1.995 1.98 1.93 1.964 311 1.656 1.720 1.692 1.66 1.69 1.760 222 0.066 0.137 0.139 0.144d 0.08 0.0 ...
Page 358
... correlation energy of the interacting system . The true ground - state density is that n ( r ) , which minimizes E [ n ( r ) ] ; this minimum being the true ground - state energy . This variational principle leads to the following set ...
... correlation energy of the interacting system . The true ground - state density is that n ( r ) , which minimizes E [ n ( r ) ] ; this minimum being the true ground - state energy . This variational principle leads to the following set ...
Contents
Photoelectron Spectroscopy as an Electronic | 99 |
Electronic Structure and the ElectronPhonon Interaction | 165 |
1228 | 213 |
Copyright | |
13 other sections not shown
Other editions - View all
Electronic Structure and Properties: Treatise on Materials ..., Volume 21 Frank Y. Fradin Limited preview - 2016 |
Common terms and phrases
alloys anomalies approximation atom band structure binding energy Brillouin zone calculated charge density Chem cluster component compounds conduction electrons contribution correlation Coulomb crystal curve d band deformation potential e/at effect elastic constants electrical resistivity electron density electron gas electron-phonon interaction electronic structure energy band experiment experimental Fermi energy Fermi level Fermi surface ferromagnetic Freeman Friedel Friedel oscillations Gupta hydrogen impurity increase interstitial ions jellium jellium model Jena lattice Lett magnetic Manninen matrix elements measured method moduli monovacancy muffin-tin muon N/m² Nb-Mo Nieminen obtained Papaconstantopoulos parameter peak phase phonon photoemission Phys point defects positron properties proton pseudopotential radius sample scattering self-consistent shear shift shown in Fig shows Solid State Commun spectra spin density strain superconducting temperature dependence theoretical theory tion transition metals transition-metal vacancy valence values variation velocity void volume wave functions York