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J. B. Mann

Bio: J. B. Mann is an academic researcher. The author has contributed to research in topics: Wave function & Hartree–Fock method. The author has an hindex of 2, co-authored 2 publications receiving 2917 citations.

Papers
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Journal ArticleDOI
TL;DR: In this paper, the Hartree-Fock wave function was used to compute X-ray scattering factors for neutral atoms from He to Lw and for most of the chemically significant ions through Lu3+ through Lu 3+.
Abstract: X-ray scattering factors for neutral atoms from He to Lw and for most of the chemically significant ions through Lu3+ have been computed from numerical Hartree–Fock wave functions. The results are given in the form of coefficients for an analytic function.

2,795 citations

ReportDOI
01 Jan 1967
TL;DR: In this article, the Hartree-Fock wave function was used to compute the X-ray scattering factors for neutral atoms from He to Lw and for most of the chemically significant ions through Lu3+ using Hartree wave functions.
Abstract: X-ray scattering factors for neutral atoms from He to Lw and for most of the chemically significant ions through Lu3+ have been computed from numerical Hartree–Fock wave functions The results are given in the form of coefficients for an analytic function

149 citations


Cited by
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Journal ArticleDOI
TL;DR: The authors would like to thank M. Chabinyc, H. Ade, B. Noriega, K. Vandewal, and D. Duong for fruitful discussions in the preparation of this review and the Center for Advanced Molecular Photovoltaics for funding.
Abstract: The authors would like to thank M. Chabinyc, H. Ade, B. Collins, R. Noriega, K. Vandewal, and D. Duong for fruitful discussions in the preparation of this review. Stanford Synchrotron Radiation Lightsource (SSRL) is a national user facility operated by Stanford University on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences. This publication was partially supported by the Center for Advanced Molecular Photovoltaics (Award No. KUS-C1-015-21), made by King Abdullah University of Science and Technology (KAUST).

1,072 citations

Journal ArticleDOI
TL;DR: In this article, the structure parameters of AlN and GaN using X-ray intensities from single crystals collected with an automatic single crystal diffractometer were refined using a single crystal detector.

555 citations

Journal ArticleDOI
TL;DR: In this paper, the structural properties of corundum-type oxides have been determined at pressures up to 50 kbar by using simple bonding parameters to predict details of crystal structures under nonambient conditions.
Abstract: Crystal structures of several of the corundum‐type oxides have been determined at pressures to 50 kbars. All materials have linear compression within the pressure range and precision of the techniques used. Compression of Cr2O3 and Al2O3 is essentially isotropic (c/a remains constant), Fe2O3 has a slightly anisotropic compression, with c/a decreasing slightly with pressure, and V2O3 is very anisotropic, with the a axis nearly three times more compressible than c. Similar differences are observed in the structural parameters. Aluminum, iron, and chromium sesquioxides simply scale, whereas atomic positions in V2O3 approach an ideal HCP arrangement with increasing pressure. The differences in structural variation with pressure for these ’’isostructural’’ compounds emphasize the difficulty in using simple bonding parameters to predict details of crystal structures under nonambient conditions.

479 citations

Journal ArticleDOI
TL;DR: The β-Ca3(PO4)2 structure is related to that of Ba3(VO4) 2, but has lower symmetry because of the widely different ionic sizes of Ca and Ba as discussed by the authors.

466 citations

Journal ArticleDOI
TL;DR: In this paper, a core/shell semiconductor nanocrystals with InAs cores were synthesized and characterized, and they were overgrained with InP and GaAs cores.
Abstract: Core/shell semiconductor nanocrystals with InAs cores were synthesized and characterized. III−V semiconductor shells (InP and GaAs), and II−VI semiconductor shells (CdSe, ZnSe, and ZnS) were overgr...

464 citations