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Linear response calculations of lattice dynamics using muffin-tin basis sets
S. Y. Savrasov Physical Review Letters 69(19):2819-2822 (1992)
to  AB CALCULATION CALCULATIONS; DENSITY DISPERSION DYNAMICS; FUNCTIONAL INITIO LATTICE METHOD; METHODS MUFFIN NIOBIUM; POTENTIAL; RELATIONS; TIN by pbuczek on Sep 9, 2009, 7:13 PM
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Exchange interactions and Néel temperature of a Fe monolayer on W001: A first-principles study
L. M. Sandratskii, E. Sasioglu, and P. Bruno Phys. Rev. B 73(1):014430--6 (January 2006)
to (electron), Neel ab antiferromagnetic calculations, density exchange ferromagnetic functional ground initio interactions iron, magnetic magnons, materials, monolayers, states, structure temperature, theory, by pbuczek on Sep 9, 2009, 7:13 PM
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Noncollinear magnetism in rough ultrathin gamma-Fe films
R. Lorenz, and J. Hafner Physical Review B Condensed Matter and Materials Physics 58(9):5197-5200 (1998)
to ab anisotropy; calculations; density films; functional initio iron; magnetic moments structure; theory; thin by pbuczek on Sep 9, 2009, 7:13 PM
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Finite-Temperature Magnetism of Transition Metals: An ab initio Dynamical Mean-Field Theory
A. I. Lichtenstein, M. I. Katsnelson, and G. Kotliar Phys. Rev. Lett. 87(6):067205--4 (August 2001)
to ab calculations, density electronic functional initio iron, linear magnetic magnetism, many-body method moments, muffin-tin nickel, orbital problems, structure, theory, tight-binding by pbuczek on Sep 9, 2009, 7:13 PM
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Ab initio calculations of quasiparticle band structure in correlated systems: LDA++ approach
A. I. Lichtenstein, and M. I. Katsnelson Phys. Rev. B 57(12):6884--6895 (March 1998)
to Green's Hubbard Kondo ab band calculations, compounds, correlated correlations, density effect, effective electron function functional initio iterative localised mass, metal-insulator methods, mixed model, perturbation quasiparticles, states strongly structure, systems, theory, transition, valence by pbuczek on Sep 9, 2009, 7:13 PM
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Pressure dependence of the Curie temperature in $Ni_2MnSn$ Heusler alloy: A first-principles study
E. Sasioglu, L. M. Sandratskii, and P. Bruno Phys. Rev. B 71(21):214412--7 (June 2005)
to (electron), Curie ab alloys, band calculations, constants, density effects effects, exchange ferromagnetic functional high-pressure initio interactions lattice magnetomechanical magnons, manganese materials, metamagnetism, nickel structure, temperature, theory, tin by pbuczek on Sep 9, 2009, 7:13 PM
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Dynamic linear response of many-electron systems: An integral formulation of density-functional theory
Weitao Yang Physical Review A General Physics 38(11):5512-5519 (1988)
to  ABSORPTION; ATOMS; BODY DENSITY DENSITY; ELECTRON ELECTRONS EQUILIBRIUM; FUNCTIONAL FUNCTIONS; GROUND MANY METHOD; POLARIZABILITY; PROBLEM; RESPONSE STATES; THERMAL by pbuczek on Sep 9, 2009, 5:55 PM
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Linear-response theory and lattice dynamics: A muffin-tin-orbital approach
S. Y. Savrasov Physical Review B Condensed Matter 54(23):16470-16486 (1996)
to  ANOMALOUS CALCULATION CARBIDES; DENSITY DISPERSION DYNAMICS; FOURIER FUNCTIONAL FUNCTIONS; LATTICE METHOD; METHODS; MUFFIN NIOBIUM PHONON POTENTIAL; PROPERTIES; PSEUDOPOTENTIAL; RELATIONS; SPECTRA; TIN TRANSFORMATION WAVE by pbuczek on Sep 9, 2009, 5:55 PM
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Exchange interactions in ZnMnSe: LDA and LDA+U calculations
L. M. Sandratskii Phys. Rev. B 68(22):224432--11 (December 2003)
to (electron), II-VI Zeeman bands, compounds, density effect exchange functional interactions manganese semiconductors, semimagnetic theory, valence zinc by pbuczek on Sep 9, 2009, 5:55 PM
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Density-functional theory for time-dependent systems
Erich Runge, and E. K. U. Gross Physical Review Letters 52(12):997-1000 (1984)
to  body density dependence; dynamical energy equation; functionals; ground level many potentials; problem; schroedinger states; systems; time by pbuczek and 1 other user on Sep 9, 2009, 5:55 PM
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Theory of spin wave spectra in Heusler alloys
John R. Reitz, and Mary Beth Stearns J. Appl. Phys. 50(B3):2066--2068 (March 1979)
to ALLOYS, DENSITY ELECTRON EXCHANGE FERROMAGNETISM, HEUSLER INTERACTIONS, SPECTRA, SPIN WAVES, by pbuczek on Sep 9, 2009, 5:55 PM
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Spin Dynamics from Time-Dependent Spin-Density-Functional Theory
Zhixin Qian, and Giovanni Vignale Physical Review Letters 88(5):056404 (2002)
to density dynamics; electron functional interactions magnetic magnetisation; materials; polarisation; spin spin-spin theory; by pbuczek on Sep 9, 2009, 5:55 PM
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Dynamical mean-field theory investigation of specific heat and electronic structure of alpha- and delta-plutonium
L. V. Pourovskii, G. Kotliar, M. I. Katsnelson, and A. I. Lichtenstein Phys. Rev. B 75(23):235107--5 (June 2007)
to density effective electronic heat, mass of perturbation plutonium, specific states, theory, by pbuczek on Sep 9, 2009, 5:55 PM
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Correlation effects in electronic structure of actinide monochalcogenides
L. V. Pourovskii, M. I. Katsnelson, and A. I. Lichtenstein Phys. Rev. B 72(11):115106--8 (September 2005)
to compounds, correlated correlations, density electron electronic ferromagnetic functional ground interactions, many-body materials, of plutonium polarisation, problems, spin spin-orbit states states, strongly systems, theory, uranium by pbuczek on Sep 9, 2009, 5:55 PM
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Interatomic magnetic interactions in iron
S. S. Peng, and H. J. F. Jansen Physical Review B Condensed Matter 43(4):3518-3526 (1991)
to ANTIFERROMAGNETISM; BCC DENSITY ENERGY FERROMAGNETISM; FUNCTIONAL HEISENBERG IRON; LATTICES; METHOD; MODEL; by pbuczek on Sep 9, 2009, 5:55 PM
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Time-dependent density-functional theory in the linear-response regime
Tai Kai Ng, and K. S. Singwi Physical Review Letters 59(23):2627-2630 (1987)
to  DENSITY DENSITY; DEPENDENCE; ELECTRON ELECTRONS EXPANSION; FUNCTIONAL GROUND INTERACTIONS; METHOD; POTENTIALS; SERIES STATES; TIME by pbuczek on Sep 9, 2009, 5:55 PM
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Magnetovolume instabilities and ferromagnetism versus antiferromagnetism in bulk fcc iron and manganese
V. L. Moruzzi, P. M. Marcus, and J. Kubler Physical Review B Condensed Matter 39(10):6957-6961 (1989)
to  ASW BAND CALCULATIONS; DENSITY FCC FERROMAGNETISM; FUNCTIONAL INSTABILITY; IRON; LATTICES; MAGNETIC MANGANESE; METHOD MOMENTS; ORIENTATION; PHASE SPIN STRUCTURE; TRANSFORMATIONS; VOLUME; by pbuczek on Sep 9, 2009, 5:55 PM
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Atomic and magnetic structure of fcc Fe/Cu100
T. Kraft, P. M. Marcus, and M. Scheffler Physical Review B Condensed Matter 49(16):11511-11514 (1994)
to  ATOMIC COPPER; DENSITY DENSITY; FCC FERROMAGNETISM FILMS; FUNCTIONAL IRON; LATTICES; MAGNETIC METHOD; MODELS; MONOCRYSTALS; MUFFIN OVERLAYERS; POTENTIAL; SPIN STRUCTURE; SUBSTRATES; THIN TIN by pbuczek on Sep 9, 2009, 5:55 PM
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Electronic structure calculations with dynamical mean-field theory
G. Kotliar, S. Y. Savrasov, K. Haule, V. S. Oudovenko, O. Parcollet, and C. A. Marianetti Rev. Mod. Phys. 78(3):865--87 (July 2006)
to density electronic functional local metal-insulator moments structure, theory, transition, by pbuczek on Sep 9, 2009, 5:55 PM
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Magnetization density in the half-metallic ferromagnet NiMnSb
Ch. Hordequin, E. Lelievre-Berna, and J. Pierre Physica B: Condensed Matter (June 1997)
to Itinerant Magnetization Polarized density magnetism, neutrons, by pbuczek on Sep 9, 2009, 5:55 PM
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