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Pisani, Cesare [Author]; Dovesi, Roberto [Author]; Roetti, Carla [Author] ; Berthier, G. [Other]; Roetti, Carla [Other]

Hartree-fock ab initio treatment of crystalline systems

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Berlin; Heidelberg [u.a.]: Springer, 1988

Published in: Lecture notes in chemistry ; 48
Abramishvili, M. G [Contributor]; Altukhov, V. I [Contributor]; An, Phuong [Contributor]; Angonoa, G [Contributor]; Aplesnin, S. S [Contributor]; Baldacchini, G [Contributor]; Ban, S. L [Contributor]; Bandyopadhyay, S [Contributor]; Bansal, C [Contributor]; Baranowski, J. M [Contributor]; Barilo, S. N [Contributor]; Bass, R [Contributor]; Bessege, R [Contributor]; Borisov, B. A [Contributor]; Bridenbaugh, P. M [Contributor]; Cardona, M [Contributor]; Cerdeira, F [Contributor]; Charbonneau, M [Contributor]; Chattopadhyay, T [Contributor]; Chetal, A. R [Contributor]; Crowne, F [Contributor]; Darshan, B [Contributor]; Daudin, B [Contributor]; Deb, S. K [Contributor]; [...]

Physica status solidi : Volume 122, Number 1: March 1 - [Reprint 2021]

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... to E-book via De Gruyter

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Berlin; Boston: De Gruyter, [2022] ; [Online-Ausgabe]

Published in: Physica status solidi ; Volume 122, Number 1 ; B
Gatti, C.; Saunders, V. R.; Roetti, C.

Crystal field effects on the topological properties of the electron density in molecular crystals: The case of urea

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AIP Publishing, 1994

Published in: The Journal of Chemical Physics, 101 (1994) 12, Seite 10686-10696
Dovesi, R.; Pisani, C.; Roetti, C.

Calculations of nickel band structure and adsorption on nickel thin films, using an extension of the CNDO formalism

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Elsevier BV, 1981

Published in: Surface Science, 103 (1981) 2-3, Seite 482-495
Dovesi, R.; Pisani, C.; Roetti, C.

Calculations of nickel band structure and adsorption on nickel thin films, using an extension of the CNDO formalism

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Elsevier BV, 1981

Published in: Surface Science Letters, 103 (1981) 2-3, Seite A57
Dovesi, R.; Pisani, C.; Roetti, C.

Exact‐exchange Hartree–Fock calculations for periodic systems. II. Results for graphite and hexagonal boron nitride

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Wiley, 1980

Published in: International Journal of Quantum Chemistry, 17 (1980) 3, Seite 517-529
Pisani, C.; Ricca, F.; Roetti, C.

Calculated potential energies for the adsorption of rare gases on graphite

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American Chemical Society (ACS), 1973

Published in: The Journal of Physical Chemistry, 77 (1973) 5, Seite 657-663
Causà, M.; Dovesi, R.; Roetti, C.

Pseudopotential Hartree-Fock study of seventeen III-V and IV-IV semiconductors

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American Physical Society (APS), 1991

Published in: Physical Review B, 43 (1991) 14, Seite 11937-11943
Samuelson, L.; Batra, Inder P.; Roetti, C.

A comparison of electronic properties of various modifications of graphite

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Elsevier BV, 1980

Published in: Solid State Communications, 33 (1980) 7, Seite 817-820
Dovesi, R.; Ermondi, C.; Ferrero, E.; Pisani, C.; Roetti, C.

Hartree-Fock study of lithium hydride with the use of a polarizable basis set

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American Physical Society (APS), 1984

Published in: Physical Review B, 29 (1984) 6, Seite 3591-3600
Saunders, V.R.; Freyria-Fava, C.; Dovesi, R.; Roetti, C.

On the electrostatic potential in linear periodic polymers

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Elsevier BV, 1994

Published in: Computer Physics Communications, 84 (1994) 1-3, Seite 156-172
Ojamäe, L.; Hermansson, K.; Pisani, C.; Causà, M.; Roetti, C.

Structural, vibrational and electronic properties of a crystalline hydrate from ab initio periodic Hartree–Fock calculations

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International Union of Crystallography (IUCr), 1994

Published in: Acta Crystallographica Section B Structural Science, 50 (1994) 3, Seite 268-279
Orlando, R.; Pisani, C.; Roetti, C.; Stefanovich, E.

Ab initioHartree-Fock study of tetragonal and cubic phases of zirconium dioxide

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American Physical Society (APS), 1992

Published in: Physical Review B, 45 (1992) 2, Seite 592-601
Causà, M.; Dovesi, R.; Pisani, C.; Roetti, C.

Ab initio characterization of the (0001) and (101̄0) crystal faces of α-alumina

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Elsevier BV, 1989

Published in: Surface Science, 215 (1989) 1-2, Seite 259-271
Causà, M.; Dovesi, R.; Pisani, C.; Roetti, C.

Ab initio characterization of the (0001) and (10⦶10) crystal faces of α-alumina

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Elsevier BV, 1989

Published in: Surface Science Letters, 215 (1989) 1-2, Seite A293
Dovesi, R.; Pisani, C.; Roetti, C.; Silvi, B.

The electronic structure of α-quartz: A periodic Hartree–Fock calculation

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AIP Publishing, 1987

Published in: The Journal of Chemical Physics, 86 (1987) 12, Seite 6967-6971
Pisani, C.; Causà, M.; Dovesi, R.; Roetti, C.

Hartree-fock ab-initio characterization of ionic crystal surfaces with a slab model. The (0001) face of α-Al2O3

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Elsevier BV, 1987

Published in: Progress in Surface Science, 25 (1987) 1-4, Seite 119-137
Causa, M; Kotomin, E; Pisani, C; Roetti, C

The MgO(110) surface and CO adsorption thereon. II. CO adsorption

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IOP Publishing, 1987

Published in: Journal of Physics C: Solid State Physics, 20 (1987) 30, Seite 4991-4997
Dovesi, R.; Pisani, C.; Roetti, C.; Ricart, J.M.

Periodic MINDO/3 study of the reconstructed (111) surface of diamond

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Elsevier BV, 1987

Published in: Surface Science Letters, 185 (1987) 1-2, Seite A242
Dovesi, R.; Pisani, C.; Roetti, C.; Ricart, J.M.

Periodic mindo/3 study of the reconstructed (111) surface of diamond

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Elsevier BV, 1987

Published in: Surface Science, 185 (1987) 1-2, Seite 120-124

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