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Results 1 to 25 of 5211

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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

Reaction pathways for butanoic acid decarboxylation on the (111) surface of a Pd nanoparticleHENRY LAMB, H; SREMANIAK, Laura; WHITTEN, Jerry L et al.Surface science. 2013, Vol 607, pp 130-137, issn 0039-6028, 8 p.Article

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

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

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

Analytic expression for the appearance of the Slater mode in ferroelectric perovskitesMIURA, Kaoru.Solid state communications. 2003, Vol 126, Num 8, pp 453-456, issn 0038-1098, 4 p.Article

Exited states of the luminescence centers in tungstate crystalsNIKOLAENKO, T. N; HIZHNYI, Yu. A; NEDILKO, S. G et al.Journal of luminescence. 2008, Vol 128, Num 5-6, pp 807-810, issn 0022-2313, 4 p.Conference Paper

Resolutions of the Coulomb operator Part III. Reduced-rank Schrödinger equationsLIMPANUPARB, Taweetham; GILL, Peter M. W.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 40, pp 9176-9181, issn 1463-9076, 6 p.Article

Equilibrium and evolution in multipolar magnetic configurations resulting from interactions among active regionsLIN, J; VAN BALLEGOOIJEN, A. A.The Astrophysical journal. 2005, Vol 629, Num 1, pp 582-591, issn 0004-637X, 10 p., 1Article

Electron impact excitation of Al IIAGGARWA, K. M; KEENAN, F. P.Journal of physics. B. Atomic, molecular and optical physics (Print). 1994, Vol 27, Num 11, pp 2343-2354, issn 0953-4075Article

Photoionization of Kr near 4s threshold. II: Intermediate-coupling theorySUKORUKOV, V. L; LAGUTIN, B. M; PETROV, I. D et al.Journal of physics. B. Atomic, molecular and optical physics (Print). 1994, Vol 27, Num 2, pp 241-256, issn 0953-4075Article

Statistical theory of spectraKARWOSKI, J.International journal of quantum chemistry. 1994, Vol 51, Num 6, pp 425-437, issn 0020-7608Conference Paper

New concepts in bonded functions theory. III: Orthogonalization problemGOŁEBIEWSKI, A; BROCŁAWIK, E; VITKO, M et al.International journal of quantum chemistry. 1989, Vol 35, Num 3, pp 425-432, issn 0020-7608Article

Calculation of SN1+N2⊃SN1⊗SN2 and U(n1+n2)⊃U(n1)⊗U(n2) subduction coefficients by using spin graphWEN ZHENYI.International journal of quantum chemistry. 1986, Vol 29, Num 6, pp 1779-1787, issn 0020-7608Article

Implementation of the table CI method: matrix elements between configurations with the same number of open-shellsBUENKER, R. J; PHILLIPS, R. A.Journal of molecular structure. 1985, Vol 123, Num 3-4, pp 291-300, issn 0022-2860Article

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

Comment on the average energy denominator method in perturbation theoryMALTA, O. L; GOUVEIA, E. A.Physics letters. A. 1983, Vol 97A, Num 8, pp 333-334, issn 0375-9601Article

Ionic-configuration-interaction effects on Xe5s-subshell photoionization processesWENDIN, G; STARACE, A. F.Physical review. A, General physics. 1983, Vol 28, Num 5, pp 3143-3146, issn 0556-2791Article

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