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Results 1 to 25 of 1907

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The mean static dipole polarisability of scandiumGLASS, R; CHANDLER, G. S.Journal of physics. B. Atomic and molecular physics. 1983, Vol 16, Num 16, pp 2931-2936, issn 0022-3700Article

THE SPECTRAL PROPERTIES OF MANY-ELECTRON ATOMIC HAMILTONIANS AND THE METHOD OF CONFIGURATION INTERACTION. I: PROOF OF CONVERGENCE OF THE CONFIGURATION INTERACTION METHODCHOUDHURY MH; PEARSON DB.1979; J. MATH. PHYS.; USA; DA. 1979; VOL. 20; NO 4; PP. 752-756; BIBL. 10 REF.Article

UNLINKED CLUSTER CORRECTIONS FOR CONFIGURATION INTERACTION CALCULATIONSLUKEN WL.1978; CHEM. PHYS. LETTERS; USA; DA. 1978; VOL. 58; NO 3; PP. 421-424; BIBL. 29 REF.Article

ELECTRON SPECTRA AND STRUCTURE OF DITHIZONE AND ITS IONS.SPEVACEK V; SPEVACKOVA V.1976; J. INORG. NUCL. CHEM.; G.B.; DA. 1976; VOL. 38; NO 7; PP. 1299-1301; BIBL. 15 REF.Article

THE BK METHOD: APPLICATION TO METHYLENEDAVIDSON ER; MCMORCHIE LE; DAY SJ et al.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 74; NO 10; PP. 5491-5496; BIBL. 20 REF.Article

THEORETICAL CHARACTERIZATION OF THE ISOMERS OF SULFUR DIOXIDEDUNNING TH JR; RAFFENETTI RC.1981; J. PHYS. CHEM.; ISSN 0022-3654; USA; DA. 1981; VOL. 85; NO 10; PP. 1350-1353; BIBL. DISSEM.Article

ELECTRON CORRELATION IN THE NICKEL ATOMMARTIN RL.1980; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1980; VOL. 75; NO 2; PP. 290-293; BIBL. 16 REF.Article

NON-ADIABATIC HARTREE-FOCK AND CONFIGURATION INTERACTION THEORYFUKUTOME H.1980; PROG. THEOR. PHYS.; ISSN 0033-068X; JPN; DA. 1980; VOL. 64; NO 6; PP. 1931-1944; BIBL. 1 REF.Article

A DIRECT CI METHOD WITH A MULTICONFIGURATIONAL REFERENCE STATEROOS BO; SIEGBAHN PEM.1980; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1980; VOL. 17; NO 3; PP. 485-500; ABS. FRE/GER; BIBL. 24 REF.Article

CONFIGURATION INTERACTION MATRIX ELEMENTS. II: GRAPHICAL APPROACH TO THE RELATIONSHIP BETWEEN UNITARY GROUP GENERATORS AND PERMUTATIONSPALDUS J; WORMER PES.1979; INTERNATION. J. QUANTUM CHEM.; USA; DA. 1979; VOL. 16; NO 6; PP. 1321-1335; ABS. FRE/GER; BIBL. 27 REF.Article

THE HYPERFINE STRUCTURE OF THE GROUND STATES OF FIRST-ROW ATOMS.GLASS R; HIBBERT A.1978; J. PHYS. D; GBR; DA. 1978; VOL. 11; NO 13; PP. 2257-2265; BIBL. 40 REF.Article

A CONVERGENCE THEOREM FOR RITZ APPROXIMATIONS OF EIGENVALUES WITH APPLICATION TO CI-CALCULATIONS.BONGERS A.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 49; NO 2; PP. 393-398; BIBL. 9 REF.Article

A MAXIMUM BOND ORDER PRINCIPLE.JUG K.1977; J. AMER. CHEM. SOC.; U.S.A.; DA. 1977; VOL. 99; NO 24; PP. 7800-7805; BIBL. 24 REF.Article

THE STRENGTH OF THE PHOTOELECTRON SATELLITES IN THE 3S PHOTOELECTRON SPECTRUM OF ARSMID H; HANSEN JE.1981; J. PHYS. B; ISSN 0022-3700; GBR; DA. 1981; VOL. 14; NO 24; PP. L811-L818; BIBL. 15 REF.Article

DIRECT CONFIGURATION INTERACTION WITH A REFERENCE STATE COMPOSED OF MANY REFERENCE CONFIGURATIONSSIEGBAHN PEM.1980; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1980; VOL. 18; NO 5; PP. 1229-1242; BIBL. 21 REF.Article

MANY BODY PERTURBATION CALCULATIONS AND COUPLED ELECTRON PAIR MODELSAHLRICHS R.1979; COMPUTER PHYS. COMMUNIC.; NLD; DA. 1979; VOL. 17; NO 1-2; PP. 31-45; BIBL. 48 REF.Conference Paper

PHOTOIONIZATION OF THE (NP)4 1S0 LEVEL OF THE GROUP-VI ATOMS VIA AUTOIONIZING LEVELSMCGUIRE EJ.1979; PHYS. REV., A; USA; DA. 1979; VOL. 19; NO 5; PP. 1978-1998; BIBL. 29 REF.Article

APPLICABILITY OF THE MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO THE CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES.BUENKER RJ; PEYERIMHOFF SD; BUTSCHER W et al.1978; MOLEC. PHYS.; G.B.; DA. 1978; VOL. 35; NO 3; PP. 771-791; BIBL. 34 REF.Article

The Aκ and Bκ approximate CI methods comment on a paper by Maynau and HeullySHAVITT, I.Chemical physics letters. 1992, Vol 192, Num 1, pp 135-137, issn 0009-2614Article

Configuration interactionKARWOWSKI, J.Studies in physical and theoretical chemistry. 1992, Vol 77, pp 197-222, issn 0167-6881, AArticle

Disilyne (Si2H2) revisitedCOLEGROVE, B. T; SCHAEFER, H. F.Journal of physical chemistry (1952). 1990, Vol 94, Num 14, pp 5593-5602, issn 0022-3654Conference Paper

Single excitations on multideterminantal CI wavefunctions: a treatment of the left-right correlation in multiple metal-metal bonds. TheoryBENARD, M; WIEST, R.Chemical physics letters. 1985, Vol 122, Num 5, pp 447-452, issn 0009-2614Article

Energy continuity in multi-reference CI calculationsWRIGHT, J. S; WILLIAMS, R. J.Theoretica chimica acta. 1984, Vol 65, Num 1, pp 59-64, issn 0040-5744Article

A full-CI study of the energetics of the reaction F+H2→HF+HKNOWLES, P. J; STARK, K; WERNER, H.-J et al.Chemical physics letters. 1991, Vol 185, Num 5-6, pp 555-561, issn 0009-2614Article

Second-order perturbation theory with a CASSCF reference functionANDERSSON, K; MALQVIST, P.-Å; ROOS, B. O et al.Journal of physical chemistry (1952). 1990, Vol 94, Num 14, pp 5483-5488, issn 0022-3654Conference Paper

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