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Results:
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Results: 25
Authors:
ELSASSER C
ZHU J
LOUIE SG
FAHNLE M
CHAN CT
Citation: C. Elsasser et al., AB-INITIO STUDY OF IRON AND IRON HYDRIDE - I - COHESION, MAGNETISM AND ELECTRONIC-STRUCTURE OF CUBIC FE AND FEH, Journal of physics. Condensed matter, 10(23), 1998, pp. 5081-5111
Authors:
ELSASSER C
ZHU J
LOUIE SG
MEYER B
FAHNLE M
CHAN CT
Citation: C. Elsasser et al., AB-INITIO STUDY OF IRON AND IRON HYDRIDE - II - STRUCTURAL AND MAGNETIC-PROPERTIES OF CLOSE-PACKED FE AND FEH, Journal of physics. Condensed matter, 10(23), 1998, pp. 5113-5129
Authors:
ELSASSER C
KRIMMEL H
FAHNLE M
LOUIE SG
CHAN CT
Citation: C. Elsasser et al., AB-INITIO STUDY OF IRON AND IRON HYDRIDE - III - VIBRATIONAL-STATES OF H-ISOTOPE IN FE, CR AND NI, Journal of physics. Condensed matter, 10(23), 1998, pp. 5131-5146
Authors:
HAAS H
WANG CZ
FAHNLE M
ELSASSER C
HO KM
Citation: H. Haas et al., ENVIRONMENT-DEPENDENT TIGHT-BINDING MODEL FOR MOLYBDENUM, Physical review. B, Condensed matter, 57(3), 1998, pp. 1461-1470
Authors:
KOSTLMEIER S
ELSASSER C
MEYER B
FINNIS MW
Citation: S. Kostlmeier et al., A DENSITY-FUNCTIONAL STUDY OF INTERACTIONS AT THE METAL-CERAMIC INTERFACES AL MGAL2O4 AND AG/MGAL2O4/, Physica status solidi. a, Applied research, 166(1), 1998, pp. 417-428
Authors:
KOSTLMEIER S
ELSASSER C
MEYER B
MULLEJANS H
Citation: S. Kostlmeier et al., AB-INITIO CALCULATION OF ELNES (ENERGY-LO SS NEAR-EDGE STRUCTURE) SPECTRA IN OXIDES, European journal of cell biology, 74, 1997, pp. 26-26
Authors:
HAAS H
ELSASSER C
FAHNLE M
Citation: H. Haas et al., ACCURATE DENSITIES OF STATES FOR METALLIC COMPOUNDS FROM PARAMETRIZEDTIGHT-BINDING CALCULATIONS, Journal of physics. Condensed matter, 8(49), 1996, pp. 10353-10359
Authors:
FRANK W
BREIER U
ELSASSER C
FAHNLE M
Citation: W. Frank et al., FIRST-PRINCIPLES CALCULATIONS OF ABSOLUTE CONCENTRATIONS AND SELF-DIFFUSION CONSTANTS OF VACANCIES IN LITHIUM, Physical review letters, 77(3), 1996, pp. 518-521
Authors:
MEYER B
HUMMLER K
ELSASSER C
FAHNLE M
Citation: B. Meyer et al., RECONSTRUCTION OF THE TRUE WAVE-FUNCTIONS FROM THE PSEUDOWAVEFUNCTIONS IN A CRYSTAL AND CALCULATION OF ELECTRIC-FIELD GRADIENTS, Journal of physics. Condensed matter, 7(48), 1995, pp. 9201-9217
Authors:
MAYER J
ELSASSER C
FAHNLE M
Citation: J. Mayer et al., CONCENTRATIONS OF ATOMIC DEFECTS IN B2-FEXAL1-X - AN AB-INITIO STUDY, Physica status solidi. b, Basic research, 191(2), 1995, pp. 283-298
Authors:
FAHNLE M
ELSASSER C
KRIMMEL H
Citation: M. Fahnle et al., THE BASIC STRATEGY BEHIND THE DERIVATION OF VARIOUS AB-INITIO FORCE FORMULAS, Physica status solidi. b, Basic research, 191(1), 1995, pp. 9-19
Authors:
FAHNLE M
BEUERLE T
HUMMLER K
ELSASSER C
Citation: M. Fahnle et al., FORMATION OF MAGNETIC-MOMENTS IN TRANSITION-METAL HOSTS, Journal of magnetism and magnetic materials, 144, 1995, pp. 111-112
Authors:
FRANK W
ELSASSER C
FAHNLE M
Citation: W. Frank et al., AB-INITIO FORCE-CONSTANT METHOD FOR PHONON DISPERSIONS IN ALKALI-METALS, Physical review letters, 74(10), 1995, pp. 1791-1794
Authors:
KRIMMEL H
SCHIMMELE L
ELSASSER C
FAHNLE M
Citation: H. Krimmel et al., SELF-TRAPPED HYDROGEN STATES IN METALS DETERMINED FROM QUANTUM-MECHANICAL CALCULATIONS USING POTENTIALS BASED ON AB-INITIO DATA .1. HYDROGEN ISOTOPES IN PD (VOL 6, PG 7679, 1994), Journal of physics. Condensed matter, 6(50), 1994, pp. 11239-11239
Authors:
FRANK W
ELSASSER C
FAHNLE M
Citation: W. Frank et al., THE STATIC LATTICE GREENS-FUNCTION OF GAMMA-FE AND FETI, Journal of physics. Condensed matter, 6(38), 1994, pp. 7673-7677
Authors:
KRIMMEL H
SCHIMMELE L
ELSASSER C
FAHNLE M
Citation: H. Krimmel et al., SELF-TRAPPED HYDROGEN STATES IN METALS DETERMINED FROM QUANTUM-MECHANICAL CALCULATIONS USING POTENTIALS BASED ON AB-INITIO DATA .1. HYDROGEN ISOTOPES IN PD, Journal of physics. Condensed matter, 6(38), 1994, pp. 7679-7704
Authors:
KRIMMEL H
SCHIMMELE L
ELSASSER C
FAHNLE M
Citation: H. Krimmel et al., SELF-TRAPPED HYDROGEN STATES IN METALS DETERMINED FROM QUANTUM-MECHANICAL CALCULATIONS USING POTENTIALS BASED ON AB-INITIO DATA .2. HYDROGEN ISOTOPES IN FE, Journal of physics. Condensed matter, 6(38), 1994, pp. 7705-7714
Authors:
BREIER U
FRANK W
ELSASSER C
FAHNLE M
SEEGER A
Citation: U. Breier et al., PROPERTIES OF MONOVACANCIES AND SELF-INTERSTITIALS IN BCC NA - AN AB-INITIO PSEUDOPOTENTIAL STUDY, Physical review. B, Condensed matter, 50(9), 1994, pp. 5928-5936
Authors:
PFROMMER B
ELSASSER C
FAHNLE M
Citation: B. Pfrommer et al., POSSIBILITY OF LI-MG AND AL-MG HYDRIDES BEING METALLIC, Physical review. B, Condensed matter, 50(8), 1994, pp. 5089-5093
Authors:
ELSASSER C
FAHNLE M
SCHIMMELE L
CHAN CT
HO KM
Citation: C. Elsasser et al., RANGE OF FORCES ON HOST-METAL ATOMS AROUND INTERSTITIAL HYDROGEN IN PD AND NB, Physical review. B, Condensed matter, 50(8), 1994, pp. 5155-5159
Authors:
KRIMMEL HG
EHMANN J
ELSASSER C
FAHNLE M
SOLER JM
Citation: Hg. Krimmel et al., CALCULATION OF ATOMIC FORCES USING THE LINEARIZED-AUGMENTED-PLANE-WAVE METHOD, Physical review. B, Condensed matter, 50(12), 1994, pp. 8846-8848
Authors:
ELSASSER C
FAHNLE M
CHAN CT
HO KM
Citation: C. Elsasser et al., DENSITY-FUNCTIONAL ENERGIES AND FORCES WITH GAUSSIAN-BROADENED FRACTIONAL OCCUPATIONS, Physical review. B, Condensed matter, 49(19), 1994, pp. 13975-13978
Authors:
BEUERLE T
HUMMLER K
ELSASSER C
FAHNLE M
Citation: T. Beuerle et al., FORMATION OF MAGNETIC-MOMENTS ON IRON IMPURITIES IN TRANSITION-METAL HOSTS, Physical review. B, Condensed matter, 49(13), 1994, pp. 8802-8810
Authors:
SCHWEIZER S
ELSASSER C
FAHNLE M
Citation: S. Schweizer et al., APPLICABILITY OF THE NEAREST-NEIGHBOR-INTERACTION MODEL FOR STACKING-FAULT ENERGIES, Physical review. B, Condensed matter, 48(19), 1993, pp. 14706-14707
Authors:
FRANK W
BREIER U
ELSASSER C
FAHNLE M
Citation: W. Frank et al., PROPERTIES OF MONOVACANCIES AND SELF-INTERSTITIALS IN BCC LI - AN AB-INITIO PSEUDOPOTENTIAL STUDY, Physical review. B, Condensed matter, 48(10), 1993, pp. 7676-7678
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