Citation: J. Baker et al., THE EFFECT OF GRID QUALITY AND WEIGHT DERIVATIVES IN DENSITY-FUNCTIONAL CALCULATIONS, The Journal of chemical physics, 101(10), 1994, pp. 8894-8902
Citation: B. Delley et al., BINDING-ENERGIES, MOLECULAR-STRUCTURES, AND VIBRATIONAL FREQUENCIES OF TRANSITION-METAL CARBONYLS USING DENSITY-FUNCTIONAL THEORY WITH GRADIENT CORRECTIONS, The Journal of chemical physics, 100(8), 1994, pp. 5785-5791
Authors:
ZHELUDEV A
BARONE V
BONNET M
DELLEY B
GRAND A
RESSOUCHE E
REY P
SUBRA R
SCHWEIZER J
Citation: A. Zheludev et al., SPIN-DENSITY IN A NITRONYL NITROXIDE FREE-RADICAL - POLARIZED NEUTRON-DIFFRACTION INVESTIGATION AND AB-INITIO CALCULATIONS, Journal of the American Chemical Society, 116(5), 1994, pp. 2019-2027
Authors:
LEIPOLD D
KEHRLI U
DELLEY B
THELEN K
PATTERSON BD
Citation: D. Leipold et al., AN ALGAAS GAAS OEIC STRUCTURE FOR THE INTEGRATION OF LEDS, MESFETS AND PHOTODETECTORS/, Materials science & engineering. B, Solid-state materials for advanced technology, 21(2-3), 1993, pp. 300-303
Citation: L. Ye et al., SURFACE-PROPERTIES OF SI(111)7X7 UPON H AND NH2 ADSORPTION - A LOCAL DENSITY-FUNCTIONAL STUDY, Physical review. B, Condensed matter, 48(15), 1993, pp. 11107-11112
Authors:
MANGAT PS
SOUKIASSIAN P
SCHIRM KM
SPIESS L
TANG SP
FREEMAN AJ
HURYCH Z
DELLEY B
Citation: Ps. Mangat et al., DETERMINATION OF THE NA SI(100)2X1 SURFACE AND INTERFACE GEOMETRY BY POLARIZATION-DEPENDENT PHOTOEMISSION EXTENDED X-RAY-ABSORPTION FINE-STRUCTURE AND AB-INITIO TOTAL-ENERGY MOLECULAR CALCULATIONS/, Physical review. B, Condensed matter, 47(24), 1993, pp. 16311-16321
Authors:
ROY HV
BOSCHUNG J
PATTHEY F
FAYET P
SCHNEIDER WD
DELLEY B
Citation: Hv. Roy et al., ANOMALOUS VIRTUAL BOUND-STATE WIDTH IN PHOTOEMISSION FROM PT IMPURITIES ON AG(110), Physical review letters, 70(17), 1993, pp. 2653-2656