المؤلفون: unknown ( host institution )

مصطلحات موضوعية: Asymptotic propagator, Dirac–Fermi–Thomas model, Exchange, Inhomogeneous electron gas, Spherical geometry

وصف الملف: Pages 243-266

Relation: Advances in Quantum Chemistry; http://ufdc.ufl.edu/LS00591111/00001

الاتاحة: http://ufdc.ufl.edu/LS00591111/00001

المؤلفون: P.Kostrobii, B.Markovych, A.Vasylenko, M.Tokarchuk, Yu.Rudavskii

المصدر: Condensed Matter Physics, Vol 9, Iss 3, Pp 519-533 (2006)

مصطلحات موضوعية: nonequilibrium statistical operator, Green's functions, generalized transport coefficients, inhomogeneous electron gas, Physics, QC1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1607-324X

URL الوصول: https://doaj.org/article/1b4fbf3336344c80b43d42cfd0d62172

المؤلفون: Wasinger, EC, de Groot, FMF, Hedman, B, Hodgson, KO, Solomon, EI

المساهمون: Sub Inorganic Chemistry and Catalysis, Inorganic Chemistry and Catalysis

مصطلحات موضوعية: INHOMOGENEOUS ELECTRON-GAS, COPPER MODEL COMPLEXES, GROUND-STATE, K-EDGE, PHENYLALANINE-HYDROXYLASE, CORRELATION-ENERGY, CRYSTAL-STRUCTURE, BRANCHING RATIO, ACTIVE-SITES, PRE-EDGE, Taverne

وصف الملف: image/pdf

Relation: https://dspace.library.uu.nl/handle/1874/386336

الاتاحة: https://dspace.library.uu.nl/handle/1874/386336

المؤلفون: Christensen, Asbjørn, Carter, Emily A.

المصدر: Christensen , A & Carter , E A 2000 , ' First-principles characterization of a heteroceramic interface: ZrO2(001) deposited on an alpha-Al2O3(1(1)over-bar02) substrate ' , Physical Review B Condensed Matter , vol. 62 , no. 24 , pp. 16968-16983 . https://doi.org/10.1103/PhysRevB.62.16968

مصطلحات موضوعية: TOTAL-ENERGY CALCULATIONS, TETRAGONAL ZIRCONIA, INHOMOGENEOUS ELECTRON-GAS, PROJECTOR AUGMENTED-WAVE, MARTENSITIC PHASE-TRANSFORMATION, STRUCTURAL-PROPERTIES, YTTRIA-STABILIZED ZIRCONIA, MOLECULAR-DYNAMICS, AB-INITIO, THERMAL-BARRIER COATINGS

وصف الملف: application/pdf

Relation: https://orbit.dtu.dk/en/publications/8eb770f5-ac7d-4d1f-9fdc-4a82fb4b78f7

الاتاحة: https://orbit.dtu.dk/en/publications/8eb770f5-ac7d-4d1f-9fdc-4a82fb4b78f7
https://doi.org/10.1103/PhysRevB.62.16968
https://backend.orbit.dtu.dk/ws/files/4179122/Emily.pdf
http://link.aps.org/doi/10.1103/PhysRevB.62.16968

المؤلفون: Martin Schlipf, Mitsuaki Kawamura, Emine Kucukbenli, M. Marsili, Matteo Cococcioni, Matteo Calandra, Xifan Wu, Huy-Viet Nguyen, Feliciano Giustino, Oliviero Andreussi, Guido Fratesi, Iurii Timrov, Paolo Giannozzi, Alexander Smogunov, Carlo Cavazzoni, Thomas Brumme, Tommaso Gorni, Nicola Marzari, Lorenzo Paulatto, Roberto Car, Giorgia Fugallo, Junteng Jia, Dario Rocca, Ngoc Linh Nguyen, Nicola Colonna, A. Dal Corso, Ivan Carnimeo, Anton Kokalj, Stefano Baroni, Alberto Otero-de-la-Roza, Uwe Gerstmann, Ari P. Seitsonen, Timo Thonhauser, M. Buongiorno Nardelli, Ralph Gebauer, Riccardo Sabatini, Samuel Poncé, Pietro Delugas, Oana Bunau, Francesco Mauri, Hsin-Yu Ko, Michele Lazzeri, Nathalie Vast, Andrea Ferretti, Robert A. DiStasio, Biswajit Santra, S. de Gironcoli, Paolo Umari, Andrea Floris, Davide Ceresoli

المساهمون: Università degli Studi di Udine - University of Udine [Italie], Ecole Polytechnique Fédérale de Lausanne (EPFL), Universität Leipzig [Leipzig], Institut de minéralogie et de physique des milieux condensés (IMPMC), Université Pierre et Marie Curie - Paris 6 (UPMC)-IPG PARIS-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS), University of North Texas (UNT), Institut de minéralogie, de physique des matériaux et de cosmochimie (IMPMC), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de recherche pour le développement [IRD] : UR206-Muséum national d'Histoire naturelle (MNHN)-Centre National de la Recherche Scientifique (CNRS), Princeton Environmental Institute [Princeton University] (PEI), Princeton University, CINECA [Bologna], CNR, ISTM, Ist Sci & Tecnol Mol, I-20133 Milan, Italy, SISSA MathLab [Trieste], CNR-IOM DEMOCRITOS, Scuola Internazionale Superiore di Studi Avanzati / International School for Advanced Studies (SISSA / ISAS), Cornell University [New York], Centro S3, Istituto Nanoscienze [Modena] (CNR NANO), Computational Physics Group, School of Mathematics and Physics, University of Lincoln, ., Computational Physics Group, School of Mathematics and Physics, University of Lincoln, Dipartimento di Fisica (Milano), Università degli Studi di Milano [Milano] (UNIMI), ETSF, Palaiseau, France, affiliation inconnue, Abdus Salam International Centre for Theoretical Physics [Trieste] (ICTP), University of Paderborn, Department of Materials, University of Oxford [Oxford], Department of Advanced Materials Science, University of Tokyo, Kashiwa, Chiba 277-8561, Japan., Department of Physical and Organic Chemistry, Jožef Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia, INAF - Osservatorio Astronomico di Padova (OAPD), Istituto Nazionale di Astrofisica (INAF), Dipartimento di Fisica [Roma], Università degli Studi di Roma Tor Vergata [Roma], Department of Chemistry [Okanagan] (UBC Chemistry), University of British Columbia (UBC), Department of Materials, Oxford, University of Oxford [Oxford]-University of Oxford [Oxford], Université de Lorraine (UL), Orionis Biosciences, Department of Materials, University of Oxford, Institut für Chemie [Zürich], Universität Zürich [Zürich] = University of Zurich (UZH), Groupe Modélisation et Théorie (GMT), Institut Rayonnement Matière de Saclay (IRAMIS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Service de physique de l'état condensé (SPEC - UMR3680), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), ÉcolePolytechniqueFédérale de Lausanne (EPFL), School of Architecture, Civil and Environmental, Wake Forest School of Medicine [Winston-Salem], Wake Forest Baptist Medical Center, Laboratoire des Solides Irradiés (LSI), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-École polytechnique (X), Department of Physics, Temple University, Philadelphia, USA (TEMPLE UNIVERSITY), Department of Physics, Temple University [Philadelphia], Pennsylvania Commonwealth System of Higher Education (PCSHE)-Pennsylvania Commonwealth System of Higher Education (PCSHE)-Temple University [Philadelphia], Pennsylvania Commonwealth System of Higher Education (PCSHE)-Pennsylvania Commonwealth System of Higher Education (PCSHE), Institute of Geophysics (Vietnamese Academy of Science and Technology ), European Project: 676598,H2020,H2020-EINFRA-2015-1,MaX(2015), European Project: 676531,H2020,H2020-EINFRA-2015-1,E-CAM(2015), Universität Leipzig, Université Pierre et Marie Curie - Paris 6 (UPMC)-Université Paris Diderot - Paris 7 (UPD7)-Institut de Physique du Globe de Paris (IPG Paris)-Centre National de la Recherche Scientifique (CNRS), Muséum national d'Histoire naturelle (MNHN)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de recherche pour le développement [IRD] : UR206-Centre National de la Recherche Scientifique (CNRS), Università degli Studi di Milano = University of Milan (UNIMI), University of Oxford, University of Oxford-University of Oxford, Service de physique de l'état condensé (SPEC - UMR3680), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Institut Rayonnement Matière de Saclay (IRAMIS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-École polytechnique (X)-Centre National de la Recherche Scientifique (CNRS)

المصدر: Journal of Physics: Condensed Matter
Journal of Physics: Condensed Matter, IOP Publishing, 2017, 29, pp.465901. ⟨10.1088/1361-648X/aa8f79⟩
Journal of Physics: Condensed Matter, 2017, 29, pp.465901. ⟨10.1088/1361-648X/aa8f79⟩
Journal of physics. Condensed matter (Online) 29 (2017): 465901-1–465901-30. doi:10.1088/1361-648X/aa8f79
info:cnr-pdr/source/autori:Giannozzi P.; Andreussi O.; Brumme T.; Bunau O.; Buongiorno Nardelli M.; Calandra M.; Car R.; Cavazzoni C.; Ceresoli D.; Cococcioni M.; Colonna N.; Carnimeo I.; Dal Corso A.; De Gironcoli S.; Delugas P.; Distasio R.A.; Ferretti A.; Floris A.; Fratesi G.; Fugallo G.; Gebauer R.; Gerstmann U.; Giustino F.; Gorni T.; Jia J.; Kawamura M.; Ko H.-Y.; Kokalj A.; Kücükbenli E.; Lazzeri M.; Marsili M.; Marzari N.; Mauri F.; Nguyen N.L.; Nguyen, H.-V.; Otero-De-La-Roza A.; Paulatto L.; Poncé S.; Rocca D.; Sabatini R.; Santra B.; Schlipf M.; Seitsonen A.P.; Smogunov A.; Timrov I.; Thonhauser T.; Umari P.; Vast N.; Wu X.a; Baroni, S./titolo:Advanced capabilities for materials modelling with Quantum ESPRESSO/doi:10.1088%2F1361-648X%2Faa8f79/rivista:Journal of physics. Condensed matter (Online)/anno:2017/pagina_da:465901-1/pagina_a:465901-30/intervallo_pagine:465901-1–465901-30/volume:29

مصطلحات موضوعية: density-functional perturbation theory, density-functional theory, frst-principles simulations, many-body perturbation theory, Materials Science (all), Condensed Matter Physics, Interoperability, 02 engineering and technology, molecular-dynamics simulation, DFT, 01 natural sciences, functional-perturbation theory, F321 Solid state Physics, F342 Quantum Mechanics, Software, augmented-wave, General Materials Science, Density-functional theory, first-principles simulations, generalized gradient approximation, localized wannier functions, inhomogeneous electron-gas, ab-initio calculation, method, tight-binding bands, greens function, atomic environment, Quantum, [PHYS]Physics [physics], Condensed Matter - Materials Science, Suite, rst-principles simulations, 021001 nanoscience & nanotechnology, Variety (cybernetics), Computer engineering, Density-Functional Perturbation Theory, Density-Functional Theory, First-principles simulations, Many-body Perturbation Theory, F320 Chemical Physics, 0210 nano-technology, Materials science, F300 Physics, FOS: Physical sciences, Settore FIS/03 - Fisica della Materia, 0103 physical sciences, F200 Materials Science, 010306 general physics, business.industry, Materials Science (cond-mat.mtrl-sci), Quantum ESPRESSO, Modular programming, F100 Chemistry, F343 Computational Physics, Perturbation theory (quantum mechanics), business

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b57156ae0cffd3cd31a976c432907fb4
https://hal-cea.archives-ouvertes.fr/cea-01634887/file/Giannozzi_2017_J._Phys._Condens._Matter_29_465901_2.pdf

المؤلفون: Drut, J. E., Furnstahl, R. J., Platter, Lucas, 1976

المصدر: Progress in Particle and Nuclear Physics. 64(1):120-168

مصطلحات موضوعية: ground-state energy, matrix expansion, density functional theory, many-fermion system, low-energy qcd, low-momentum interactions, effective-field theory, many-body perturbation theory, nuclear structure, inhomogeneous electron-gas, equation-of-state, local composite-operators, mean-field

URL الوصول: https://research.chalmers.se/publication/129795

المؤلفون: Rinkevicius, Zilvinas, Vaara, Juha, Telyatnyk, Lydumyla, Vahtras, Olav

المصدر: Journal of Chemical Physics. 118(6):2550-2561

مصطلحات موضوعية: HYPERFINE COUPLING-CONSTANTS, DENSITY-FUNCTIONAL CALCULATIONS, GENERALIZED GRADIENT APPROXIMATION, CONSISTENT-FIELD CALCULATIONS, SPIN-ORBIT PSEUDOPOTENTIALS, INHOMOGENEOUS ELECTRON-GAS, CORRELATION-ENERGY, EXCHANGE-ENERGY, WAVE-FUNCTIONS, RADICALS, NATURAL SCIENCES, Physics, NATURVETENSKAP, Fysik

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-13644

المؤلفون: Sottile, F., Karlsson, Krister, 1961, Reining, L., Aryasetiawan, F.

المصدر: Physical Review B. 68(20):205112-205122

مصطلحات موضوعية: density-functional theory, ab-initio calculation, inhomogeneous electron-gas, quasi-particle, greens-function, dielectric function, optical-absorption, hole interaction, excitations, semiconductors

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:his:diva-1998

المؤلفون: Contreras, R, Safont, VS, Perez, P, Andres, J, Moliner, V, Tapia, O

المصدر: THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 426:277-288

مصطلحات موضوعية: isomerization reactions, density functional analysis of isomerization reactions, molecular similarity in isomerization reactions, solvent effects in isomerization reactions, INHOMOGENEOUS ELECTRON-GAS, CORRELATION-ENERGY, ACTIVATION HARDNESS, AB-INITIO

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-71520

المؤلفون: Park, K Park, Kiyoung, Solomon, EI Solomon, Edward I.

مصطلحات موضوعية: MOLECULAR-ORBITAL METHODS, METHYLOSINUS-TRICHOSPORIUM OB3B, MONOOXYGENASE CATALYTIC CYCLE, INHOMOGENEOUS ELECTRON-GAS, GAUSSIAN-TYPE BASIS, METHANE MONOOXYGENASE, 3RD-ROW ATOMS, BASIS-SETS, ORGANIC-MOLECULES, INTERMEDIATE

الاتاحة: http://hdl.handle.net/10203/193081
https://doi.org/10.1139/cjc-2014-0067

المؤلفون: Gu, Huai-Qiang, Liang, Haozhao, Long, Wen Hui, Nguyen Van Giai, Meng, Jie

المساهمون: Gu, HQ (reprint author), Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou 730000, Peoples R China., Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou 730000, Peoples R China., Beihang Univ, Sch Phys & Nucl Energy Engn, Beijing 100191, Peoples R China., RIKEN, Nishina Ctr, Wako, Saitama 3510198, Japan., Peking Univ, Sch Phys, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China., Inst Phys Nucl, IN2P3, CNRS, F-91406 Orsay, France., Univ Paris 11, F-91406 Orsay, France., Univ Stellenbosch, Dept Phys, ZA-7600 Stellenbosch, South Africa.

المصدر: SCI

مصطلحات موضوعية: INHOMOGENEOUS ELECTRON-GAS, HARTREE-BOGOLIUBOV THEORY, EXOTIC NUCLEI, FINITE NUCLEI, ENERGIES

Relation: PHYSICAL REVIEW C.2013,87,(4).; 829253; http://hdl.handle.net/20.500.11897/391752; WOS:000316995400001

الاتاحة: https://hdl.handle.net/20.500.11897/391752
https://doi.org/10.1103/PhysRevC.87.041301

المؤلفون: Qian, Zhixin

المساهمون: Qian, ZX (reprint author), Peking Univ, Dept Phys, Beijing 100871, Peoples R China., Peking Univ, Dept Phys, Beijing 100871, Peoples R China.

المصدر: SCI

مصطلحات موضوعية: DENSITY-FUNCTIONAL THEORY, CORRELATION-KINETIC COMPONENTS, INHOMOGENEOUS ELECTRON-GAS, CHARGE-DENSITY, WORK FUNCTION, ENERGY, ATOMS, CONSTRUCTION, REGION, PAULI

Relation: PHYSICAL REVIEW B.2012,85,(11).; 880460; http://hdl.handle.net/20.500.11897/296884; WOS:000301972000004

الاتاحة: https://hdl.handle.net/20.500.11897/296884
https://doi.org/10.1103/PhysRevB.85.115124

المؤلفون: Filippo De Angelis, Claudia Caddeo, Giuliano Malloci, Alessandro Mattoni, Luciano Colombo

المصدر: PCCP. Physical chemistry chemical physics
14 (2012): 14293–14298. doi:10.1039/C2CP42037F
info:cnr-pdr/source/autori:Claudia Caddeo (ab), Giuliano Malloci (b), Filippo De Angelis (c), Luciano Colombo (a), Alessandro Mattoni (b)/titolo:Optoelectronic properties of (ZnO)60 isomers/doi:10.1039%2FC2CP42037F/rivista:PCCP. Physical chemistry chemical physics (Print)/anno:2012/pagina_da:14293/pagina_a:14298/intervallo_pagine:14293–14298/volume:14

مصطلحات موضوعية: Models, Molecular, Fullerene, INHOMOGENEOUS ELECTRON-GAS, SOLAR-CELLS, ZINC-OXIDE, ZNO NANOSTRUCTURES, CORRELATION-ENERGY, OPTICAL-PROPERTIES, CLUSTERS, NANOCLUSTERS, THERMOCHEMISTRY, APPROXIMATION, General Physics and Astronomy, Electrons, Ion, Isomerism, Models, Physics::Atomic and Molecular Clusters, Cluster (physics), Fullerenes, Ions, Quantum Theory, Spectrum Analysis, Zinc Oxide, Physical and Theoretical Chemistry, Spectroscopy, Chemistry, business.industry, Molecular, Nanoelectronics, Optoelectronics, Density functional theory, Ionization energy, Ground state, business

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::db439472eb09f212d630715bcee0d312
http://hdl.handle.net/11391/1442987

المؤلفون: Liu F(刘峰), Wang ZQ(王自强), Wang, TC (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.

مصطلحات موضوعية: Density-functional Theory, Exchange-correlation Functional, Bulk Modulus, Band Structure, Aluminum, Silicon, GENERALIZED GRADIENT APPROXIMATION, INHOMOGENEOUS ELECTRON-GAS, DENSITY FUNCTIONALS, CORRELATION HOLE, HARTREE-FOCK, THERMOCHEMISTRY, MOLECULES, SOLIDS, LADDER, ATOMS, Physics, Multidisciplinary, 二类/Q3

Relation: Science China-Physics Mechanics & Astronomy; Liu F,Wang ZQ. Total energy equation leading to exchange-correlation functional[J]. Science China-Physics Mechanics & Astronomy,2015,58(5):54601.; http://dspace.imech.ac.cn/handle/311007/49985; http://dx.doi.org/10.1007/s11433-014-5639-2

الاتاحة: http://dspace.imech.ac.cn/handle/311007/49985
https://doi.org/10.1007/s11433-014-5639-2

المؤلفون: Steffens, Stefan, Prosenc, Marc H, Heck, Juergen, Asselberghs, Inge, Clays, Koen

مصطلحات موضوعية: second harmonic generation, tetranuclear sandwich complexes, 3d nlophores, x-ray structure determination, redox properties, iron, ruthenium, hyper-rayleigh scattering, first hyperpolarizabilities-beta, nonlinear-optical properties, inhomogeneous electron-gas, sesquifulvalene complexes, 2nd-harmonic generation, correlation-energy, crystal-structure, cyclotrimerization, metallocenes

Relation: European Journal of Inorganic Chemistry issue:12 pages:1999-2006; https://lirias.kuleuven.be/handle/123456789/202274

الاتاحة: https://lirias.kuleuven.be/handle/123456789/202274

المؤلفون: Ia, Kornev, Bouvier, P., Janolin, Pe, Dkhil, B., Kreisel, J., Bellaiche, L.

المساهمون: Physics Department, Southern Arkansas University, Laboratoire d'Electrochimie et de Physico-chimie des Matériaux et des Interfaces (LEPMI), Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP)-Institut National Polytechnique de Grenoble (INPG)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Université Savoie Mont Blanc (USMB Université de Savoie Université de Chambéry )-Centre National de la Recherche Scientifique (CNRS), Laboratoire Structures, Propriétés et Modélisation des solides (SPMS), Institut de Chimie - CNRS Chimie (INC-CNRS)-CentraleSupélec-Centre National de la Recherche Scientifique (CNRS), Laboratoire des matériaux et du génie physique (LMGP), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP)-Institut National Polytechnique de Grenoble (INPG)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS)

المصدر: ISSN: 0031-9007.

مصطلحات موضوعية: INHOMOGENEOUS ELECTRON-GAS, PSEUDOPOTENTIALS, PHONONS, ENERGY, OXIDES, ORIGIN, [PHYS.MPHY]Physics [physics]/Mathematical Physics [math-ph]

الاتاحة: https://hal.science/hal-00114063
https://doi.org/10.1103/PhysRevLett.95.196804

المؤلفون: Wang, F, Liu, WJ

المساهمون: Liu, WJ (reprint author), Peking Univ, Coll Chem & Mol Engn, Inst Theoret & Computat Chem, State Key Lab Rare Earth Mat Chem & Applicat, Beijing 100871, Peoples R China., Peking Univ, Coll Chem & Mol Engn, Inst Theoret & Computat Chem, State Key Lab Rare Earth Mat Chem & Applicat, Beijing 100871, Peoples R China.

المصدر: SCI

مصطلحات موضوعية: INHOMOGENEOUS ELECTRON-GAS, EXCHANGE-CORRELATION FUNCTIONALS, HARTREE-FOCK CALCULATIONS, HEAVY DIATOMIC-MOLECULES, BASIS-SET CONVERGENCE, GAUSSIAN-BASIS SETS, CORRELATION ENERGIES, PROGRAM PACKAGE, APPROXIMATION, OPTIMIZATION

Relation: CHEMICAL PHYSICS.2005,311,(1-2),63-69.; 991694; http://hdl.handle.net/20.500.11897/253808; WOS:000227514600009

الاتاحة: https://hdl.handle.net/20.500.11897/253808
https://doi.org/10.1016/j.chemphys.2004.10.019

المؤلفون: Gao, J, Liu, WJ, Song, B, Liu, CB

المساهمون: Gao, J (reprint author), Peking Univ, Coll Chem & Mol Engn, Inst Theoret & Computat Chem, Beijing 100871, Peoples R China., Peking Univ, Coll Chem & Mol Engn, Inst Theoret & Computat Chem, Beijing 100871, Peoples R China., Peking Univ, Coll Chem & Mol Engn, State Key Lab Rare Earth Mat Chem & Applicat, Beijing 100871, Peoples R China., Shandong Univ, Inst Theoret Chem, Jinan 250100, Peoples R China.

المصدر: EI ; PubMed ; SCI

مصطلحات موضوعية: INHOMOGENEOUS ELECTRON-GAS, LINEAR-RESPONSE THEORY, LOCAL-DENSITY, DYNAMIC POLARIZABILITIES, ADIABATIC APPROXIMATION, POLYATOMIC-MOLECULES, OPTICAL-RESPONSE, PROGRAM PACKAGE, EXCITED-STATES, ALL-ELECTRON

Relation: JOURNAL OF CHEMICAL PHYSICS.2004,121,(14),6658-6666.; 677976; http://hdl.handle.net/20.500.11897/150271; WOS:000224269200010

الاتاحة: https://hdl.handle.net/20.500.11897/150271
https://doi.org/10.1063/1.1788655

المؤلفون: Kostrobii, Tokarchuk, Rudavskii, Vasylenko, Markovych

المصدر: Condensed Matter Physics, Vol 9, Iss 3, Pp 519-533 (2006)
Scopus-Elsevier

مصطلحات موضوعية: generalized transport coefficients, Materials science, Physics and Astronomy (miscellaneous), inhomogeneous electron gas, Operator (physics), Non-equilibrium thermodynamics, Condensed Matter Physics, lcsh:QC1-999, Green S, chemistry.chemical_compound, chemistry, Green's functions, nonequilibrium statistical operator, Fermi gas, lcsh:Physics, Mathematical physics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::373afb0a4fd324c781d50566bad78acf
http://dspace.nbuv.gov.ua/handle/123456789/121353

المؤلفون: Wang, F, Liu, WJ

المساهمون: Liu, WJ (reprint author), Peking Univ, Coll Chem & Mol Engn, Inst Theoret & Computat Chem, Beijing 100871, Peoples R China., Peking Univ, Coll Chem & Mol Engn, Inst Theoret & Computat Chem, Beijing 100871, Peoples R China., Peking Univ, Coll Chem & Mol Engn, State Key Lab Rare Earth Mat Chem & Applicat, Beijing 100871, Peoples R China.

المصدر: SCI

مصطلحات موضوعية: Kramers-unrestricted, collinear, noncollinear, spin density, DFT, relativistic effects, BDF, EXCHANGE-CORRELATION FUNCTIONALS, INHOMOGENEOUS ELECTRON-GAS, SPECTROSCOPIC CONSTANTS, CORRELATION-ENERGY, AB-INITIO, PROGRAM PACKAGE, ATOMS, APPROXIMATION, 4-COMPONENT, DIATOMICS

Relation: JOURNAL OF THE CHINESE CHEMICAL SOCIETY.2003,50,(3B,SI),597-606.; 1009533; http://hdl.handle.net/20.500.11897/400738; WOS:000185045500013

الاتاحة: https://hdl.handle.net/20.500.11897/400738