Keywords: شبه فاکتورهای; Thermal conductivity; Density functional theory; Lattice dynamics; Boltzmann transport equation; Pseudopotentials; Phonons;
مقالات ISI شبه فاکتورهای (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
Optical phonon modes and polaron related parameters in GaxIn1âxP
Keywords: شبه فاکتورهای; Phonons; Polaron; Lattice-dynamics; Collective effects; GaInP; Pseudopotentials;
Satellite valleys and strained band gap transition of bulk Ge: Impact of pseudopotential approximations on quasiparticle levels
Keywords: شبه فاکتورهای; Density functional theory (DFT); GW approximation; Pseudopotentials; Quasiparticle energies; Ab-initio; First principles calculations; Band gap; Semiconductors; Germanium; Electronic structure; Atomic orbitals; Bandstructure;
Pseudopotential calculations of AlSb under pressure
Keywords: شبه فاکتورهای; Pressure; Electronic structure; Optical properties; AlSb; Pseudopotentials;
Band structure and optical constants of GaAs1-xNx
Keywords: شبه فاکتورهای; Electronic structure; Optical properties; GaAsN alloys; Pseudopotentials;
Electron and positron characteristics in AlxIn1âxSb: A comparative study performed by using a pseudopotential approach
Keywords: شبه فاکتورهای; Electron structure; Positron states; AlxIn1âxSb alloys; Pseudopotentials;
W1CEP theory for computational thermochemistry
Keywords: شبه فاکتورهای; Composite methods; Pseudopotentials; W1 theory; G3CEP theory; Thermochemical properties;
Refractive index and dielectric constants of GaxIn1−xP: Disorder effect
Keywords: شبه فاکتورهای; 78.20.−e; 78.20.Bh; 78.20.CiOptical properties; Disorder effect; GaxIn1−xP; Pseudopotentials
Effects of substrate and compositional disorder upon optical and lattice vibration properties of quaternary semiconductor GaxIn1−xAsyP1−y
Keywords: شبه فاکتورهای; Optical properties; Phonon frequency; GaxIn1−xAsyP1−y; Pseudopotentials
Pseudopotentials for high-throughput DFT calculations
Keywords: شبه فاکتورهای; Pseudopotentials; High-throughput; Density functional theory;
Band structure and related electronic properties of YxIn1−xN ternary system
Keywords: شبه فاکتورهای; Electronic structure; Effective masses; Ionicity; YInN alloys; Pseudopotentials
Pseudopotentials periodic table: From H to Pu
Keywords: شبه فاکتورهای; Pseudopotentials; Plane-waves; Electronic structure; Elements
Electronic band structure and derived properties of AlAsxSb1−x alloys
Keywords: شبه فاکتورهای; Electronic properties; Optical properties; AlAsxSb1−x; Pseudopotentials
Pseudopotential errors in titanium
Keywords: شبه فاکتورهای; Density functional theory; Pseudopotentials; Titanium
Electric quadrupole and hexadecapole moment, dipole polarizability and hyperpolarizability of the copper tetramer (Cu4) from pseudopotential calculations and a comparison with all-electron ab initio results
Keywords: شبه فاکتورهای; Copper tetramer; Pseudopotentials; ab initio; DFT; Polarizability; Hyperpolarizability;
Exciton and polaron properties in GaxIn1âxAs ternary mixed crystals
Keywords: شبه فاکتورهای; Quasiparticles; Excitons; Polarons; Ternaries; GaxIn1âx As; Pseudopotentials;
Electronic properties of GaxIn1−xP from pseudopotential calculations
Keywords: شبه فاکتورهای; 71.20.−b; 71.15.−m; 71.55.EqElectronic properties; GaInP alloys; Pseudopotentials
Energy gaps and carrier effective masses of quasi-binary (GaP)1−x(ZnSe)x crystals
Keywords: شبه فاکتورهای; Quasi-crystals; Electronic properties; Pseudopotentials
Band parameters for cadmium and zinc chalcogenide compounds
Keywords: شبه فاکتورهای; 71.20.−b; 71.20.NrElectronic structure; Chalcogenides; Pseudopotentials
Crystal structure and hydroxyl group vibrational frequencies of phyllosilicates by DFT methods
Keywords: شبه فاکتورهای; DFT; Pseudopotentials; Phyllosilicates; Quantum mechanics; Vibrational frequencies; Crystal structure;
Application of time-dependent density-functional theory to molecules and nanostructures
Keywords: شبه فاکتورهای; TDDFT; DFT; Pseudopotentials; Optical excitations; Nanostructures; Molecules;
Electronic structure and optical properties of CdSexTe1−x mixed crystals
Keywords: شبه فاکتورهای; Electronic structure; Dielectric constants; CdSexTe1−x; Pseudopotentials
Algorithms for the evolution of electronic properties in nanocrystals
Keywords: شبه فاکتورهای; Pseudopotentials; Nanocrystals; Density functional theory; Silicon quantum dots
Theoretical study of the interaction d10-s2 between Pt(0) and metals on the [Pt(PH3)3M] complexes (MÂ =Â Hg(0), Au(-I))
Keywords: شبه فاکتورهای; Metallophilic attraction; Electron correlation effects; Pseudopotentials;
Quasirelativistic 5f-in-core pseudopotential study of the actinocenes An(C8H8)2, An = Th-Pu
Keywords: شبه فاکتورهای; Actinocenes; Actinides; Pseudopotentials; Core-polarization potentials; Thorocene; Uranocene;
Ab initio study of NaRb+: Potential energy curves, spectroscopic constants and atomic polarizabilities
Keywords: شبه فاکتورهای; Ab initio; Pseudopotentials; NaRb+; Spectroscopic constants; WKB approximation; Polarizability; Alkali atoms;
Efficient first-principles calculations of the electronic structure of periodic systems
Keywords: شبه فاکتورهای; 71.15.-m; 71.15.Dx; 71.15.MbElectronic structure; Density-functional theory; Pseudopotentials; Iterative diagonalization; Real-space method
Surface passivation optimization using DIRECT
Keywords: شبه فاکتورهای; Global optimization; Electronic structure; Nanostructure; Surface passivation; Pseudopotentials
Optical and vibrational properties of quasi-binary (GaSb)1−x(InAs)x crystals
Keywords: شبه فاکتورهای; 71.20.−b; 71.23.Ft; 71.28.+dQuasi-crystals; Optical properties; Phonon frequencies; Pseudopotentials
A comparative study of electrical resistivity of liquid alkali metals
Keywords: شبه فاکتورهای; Liquid metals; Pseudopotentials; Structure factor; Electronic transport properties; Ziman formula; Kubo formula
A comparative study of the atomic transport properties of liquid alkaline metals using scaling laws
Keywords: شبه فاکتورهای; Liquid metals; Pseudopotentials; Pair distribution function; Excess entropy; Scaling laws
Elastic constants and acoustical phonon properties of GaAsxSb1âx
Keywords: شبه فاکتورهای; 71.20.Nr; III-V Semiconductor alloys; Elastic constants; Phonon properties; Pseudopotentials;
Relativistic energy-consistent ab initio pseudopotentials as tools for quantum chemical investigations of actinide systems
Keywords: شبه فاکتورهای; Pseudopotentials; Actinides; Relativistic effects; Electronic structure; Calculation
Multiple bonds to gold: a theoretical investigation of XAuC (XÂ =Â F, Cl, Br, I) molecules
Keywords: شبه فاکتورهای; Gold carbides; Gold halides; Ab initio theory; Pseudopotentials; Spectroscopic properties; Thermodynamic properties;
A genetic algorithm based inverse band structure method for semiconductor alloys
Keywords: شبه فاکتورهای; Genetic algorithms; Inverse problem; Material design; Electronic structure; Pseudopotentials; Optimization;