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Results 1 to 25 of 5664

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Variational approach to configuration interactionCHASMAN, R. R.Physical review letters. 2005, Vol 95, Num 26, pp 262501.1-262501.4, issn 0031-9007Article

Two-particle configuration interaction in rare-earth ionsRAHMAN, H. U.Il Nuovo cimento. D. 1993, Vol 15, Num 7, pp 977-981, issn 0392-6737Article

Transitions in Mn II of astrophysical importanceTONER, A; HIBBERT, A.Monthly Notices of the Royal Astronomical Society. 2005, Vol 361, Num 2, pp 673-678, issn 0035-8711, 6 p.Article

On the number of spin functions in the first order interaction spaceDUCH, W.Theoretica chimica acta. 1985, Vol 67, Num 4, pp 263-269, issn 0040-5744Article

Potential energy functions and the role of the conformational entropy of clonidine-like imidazolidines in determining their affinity for α-adrenergic receptorsAVBELJ, F; HADZI, D.Molecular pharmacology. 1985, Vol 27, Num 4, pp 466-470, issn 0026-895XArticle

An improved computer program for eigenvectors and eigenvalues of large configuration interaction matrices using the algorithm of DavidsonCISNEROS, G; BUNGE, C. F.Computers & chemistry. 1984, Vol 8, Num 2, pp 157-160, issn 0097-8485Article

Singlet-triplet energy gaps in chlorine-substituted methylenes and silylenesSEUNG KOO SHIN; GODDARD, W. A; BEAUCHAMP, J. L et al.Journal of physical chemistry (1952). 1990, Vol 94, Num 18, pp 6963-6969, issn 0022-3654Article


Size extensivity correction for complete active space multiconfiguration self-consistent-field configuration interaction energiesSIMONS, J.Journal of physical chemistry (1952). 1989, Vol 93, Num 2, pp 626-627, issn 0022-3654Article

CI matrix element interpretation of aromaticitySAN-YAN CHU; TIEH-SHENG LEE; SHYI-LONG LEE et al.Journal of molecular structure. 1985, Vol 123, Num 3-4, pp 287-290, issn 0022-2860Article

Configuration mixing within the 3s-3p subshellHO, Y; WULFMAN, C.Chemical physics letters. 1983, Vol 103, Num 1, pp 35-39, issn 0009-2614Article

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

Effect on relativity on the oscillator strengths on 2p63s2Sje→2p53s22PJ0, transition in Cu18+, Zn19+,Br24+, and Kr25+ ionsTIWARY, S. N.International journal of theoretical physics. 1991, Vol 30, Num 6, pp 825-828, issn 0020-7748Article

Configuration mixing coefficients from fine structure dataCHANG, E. S.Physica scripta (Print). 1990, Vol 42, Num 6, pp 697-699, issn 0031-8949Article

Novel Approach to Excited-State Calculations of Large Molecules Based on Divide-and-Conquer Method: Application to Photoactive Yellow ProteinYOSHIKAWA, Takeshi; KOBAYASHI, Masato; FUJII, Atsuhiko et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 18, pp 5565-5573, issn 1520-6106, 9 p.Article

Photoelectron Spectra of Some Important Biological Molecules: Symmetry-Adapted-Cluster Configuration Interaction StudyFARROKHPOUR, Hossein; GHANDEHARI, Maryam.The Journal of physical chemistry. B. 2013, Vol 117, Num 20, pp 6027-6041, issn 1520-6106, 15 p.Article

Center-of-mass problem in truncated configuration interaction and coupled-cluster calculationsROTH, Robert; GOUR, Jeffrey R; PIECUCH, Piotr et al.Physics letters. Section B. 2009, Vol 679, Num 4, pp 334-339, issn 0370-2693, 6 p.Article

Quasidegenerate perturbation theory configuration interaction calculations of the core and valence photoelectron spectra of Ne and ArLISINI, A; DECLEVA, P.Journal of physics. B. Atomic, molecular and optical physics (Print). 1994, Vol 27, Num 7, pp 1325-1339, issn 0953-4075Article

Weakly nonuncoupled relations in wave multiple scattering theory for dense discrete random mediaBARABANENKOV, YU. N; KALININ, M. I.Physics letters. A. 1992, Vol 163, Num 3, pp 214-218, issn 0375-9601Article

Conservative configuration dependent loads on bounded surfacesFISHER, D.Zeitschrift für angewandte Mathematik und Physik. 1987, Vol 38, Num 6, pp 883-892, issn 0044-2275Article

A unitary group formulation of many-body theory: the spin-shift formalismPICKUP, B. T; MUKHOPADHYAY, A.International journal of quantum chemistry. 1984, Vol 26, Num 1, pp 101-123, issn 0020-7608Article

A Hermitean reformulation of the Born-Oppenheimer nondiabatic coupling terms for diatomic moleculesRÖMELT, J.International journal of quantum chemistry. 1983, Vol 24, Num 6, pp 627-631, issn 0020-7608Article

Direct calculation of the frequency-dependent polarizability from a CI matrixIWATA, S.Chemical physics letters. 1983, Vol 102, Num 6, pp 544-549, issn 0009-2614Article

Extension of the measurements of the np 2P1/2,3/2 and nd 2D3/2,5/2 Rydberg series in neutral indiumDE VLIEGER, G. J. N. E; WIJNEN, H; DÖNSZELMANN, A et al.Physica, B + C. 1983, Vol 121, Num 1-2, pp 241-249, issn 0378-4363Article

Studies in the configuration interaction method. II: Generating functions and recurrence relations for the number of many-particle configurationsKATRIEL, J; PAUNCZ, R; MULDER, J. J. C et al.International journal of quantum chemistry. 1983, Vol 23, Num 5, pp 1855-1867, issn 0020-7608Article

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