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De Alti, Giancarlo, Decleva, Piero, Lisini, Adriana (1983) MS Xα and LCAO Xα calculations of ionization potentials. A comparison with Koopmans' theorem and accurate calculations. Chemical Physics, 76. 185-193 doi:10.1016/0301-0104(83)85031-9

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Reference TypeJournal (article/letter/editorial)
TitleMS Xα and LCAO Xα calculations of ionization potentials. A comparison with Koopmans' theorem and accurate calculations
JournalChemical Physics
AuthorsDe Alti, GiancarloAuthor
Decleva, PieroAuthor
Lisini, AdrianaAuthor
Year1983 (April)Volume76
PublisherElsevier BV
DOIdoi:10.1016/0301-0104(83)85031-9Search in ResearchGate
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Mindat Ref. ID5950381Long-form Identifiermindat:1:5:5950381:9
GUID0
Full ReferenceDe Alti, Giancarlo, Decleva, Piero, Lisini, Adriana (1983) MS Xα and LCAO Xα calculations of ionization potentials. A comparison with Koopmans' theorem and accurate calculations. Chemical Physics, 76. 185-193 doi:10.1016/0301-0104(83)85031-9
Plain TextDe Alti, Giancarlo, Decleva, Piero, Lisini, Adriana (1983) MS Xα and LCAO Xα calculations of ionization potentials. A comparison with Koopmans' theorem and accurate calculations. Chemical Physics, 76. 185-193 doi:10.1016/0301-0104(83)85031-9
In(n.d.) Chemical Physics Vol. 76. Elsevier BV

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De Alti, Giancarlo, Decleva, Piero, Lisini, Adriana (1984) Xα calculations of ionization potentials of three-membered rings. A comparison with koopmans' theorem, green's function and ham/3 results. Journal of Molecular Structure: THEOCHEM, 108. 129-138 doi:10.1016/0166-1280(84)80108-6
De Alti, Giancarlo, Decleva, Piero, Lisini, Adriana (1982) On the validity of the Xα method in the computation of ionization potentials. A comparison of the results for small molecules. Chemical Physics, 66. 425-433 doi:10.1016/0301-0104(82)88043-9
DE ALTI, G., DECLEVA, P., LISINI, A. (1984) ChemInform Abstract: Xα CALCULATIONS OF IONIZATION POTENTIALS OF THREE-MEMBERED RINGS. A COMPARISON WITH KOOPMANS′ THEOREM, GREEN′S FUNCTION AND HAM/3 RESULTS. Chemischer Informationsdienst, 15 (21) doi:10.1002/chin.198421069
Decleva, Piero, Lisini, Adriana (1985) 2h-1p Cl calculations of ionization potentials of small molecules: Corrections to the koopmans theorem. Chemical Physics, 97. 95-102 doi:10.1016/0301-0104(85)87081-6
De Alti, Giancarlo, Decleva, Piero, Lisini, Adriana (1980) MS-SCF-Xα calculation of the rotational barriers in ethane-like molecules. Journal of Molecular Structure, 66. 265-271 doi:10.1016/0022-2860(80)80180-3
De Alti, Giancarlo, Decleva, Piero, Sgamellotti, Antonio (1978) An MS-Xα study of the photoelectron spectra and bonding in the fluorosilanes. Chemical Physics, 35. 283-292 doi:10.1016/s0301-0104(78)85244-6
De Alti, G., Decleva, P., Lisini, A. (1983) Configuration interaction with Xα orbitals. A CI and RSPT study of the ground and ionized states of the Be atom. Chemical Physics Letters, 100. 371-374 doi:10.1016/0009-2614(83)80289-9
De Alti, G., Decleva, P., Lisini, A. (1985) Cl Calculations on the alkaline-earth atoms: A comparison with 2ph-TDA green function results. Chemical Physics, 93. 225-235 doi:10.1016/0301-0104(85)80020-3
Decleva, Piero, Lisini, Adriana (1987) Calculation of the valence shell correlation effects on ionization potentials. A test on N2, C2N2 and H2NN. Chemical Physics, 112. 339-347 doi:10.1016/0301-0104(87)85102-9
De Alti, Giancarlo, Decleva, Piero (1981) Photoelectron spectra and electronic structure of furan homologues computed by the ms scf Xα method. Chemical Physics Letters, 77. 413-418 doi:10.1016/0009-2614(81)80177-7
Baldovin, A., De Alti, G., Decleva, P., Fronzoni, G., Lisini, A. (1993) Ab initio calculations of the core ionization spectra of unsaturated hydrocarbons. Chemical Physics, 176. 67-82 doi:10.1016/0301-0104(93)85008-v
 
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