An exact chemical decomposition scheme for the molecular energyMAYER, I.Chemical physics letters. 2003, Vol 382, Num 3-4, pp 265-269, issn 0009-2614, 5 p.Article

Parallel algorithm for SCF analytic Hessians. I: Small scale algorithmWINDUS, T. L; SCHMIDT, M. W; GORDON, M. S et al.Chemical physics letters. 1993, Vol 216, Num 3-6, pp 375-379, issn 0009-2614Article

Cluster-embedding method to simulate large cluster and surface problemsJACOB, T; FRICKE, B; ANTON, J et al.The European physical journal. D, Atomic, molecular and optical physics (Print). 2001, Vol 16, Num 1-3, pp 257-260, issn 1434-6060Article

Computation of the valence band of diamond by means of local incrementsGRÄFENSTEIN, J; STOLL, H; FULDE, P et al.Chemical physics letters. 1993, Vol 215, Num 6, pp 611-616, issn 0009-2614Article

Rapid computation of all sets of electron-repulsion integrals for large-scale moleculesTAKASHIMA, Hajime; KITAMURA, Kunihiro.Chemical physics letters. 2003, Vol 377, Num 1-2, pp 43-48, issn 0009-2614, 6 p.Article

Optical absorption and magnetotransport in quantum wires in a perpendicular magnetic fieldGUMBS, G; DANHONG HUANG.Superlattices and microstructures. 1994, Vol 16, Num 2, pp 115-120, issn 0749-6036Article

Modified valence indices from the two-particle density matrixNALEWAJSKI, R. F; MROZERK, J.International journal of quantum chemistry. 1994, Vol 51, Num 4, pp 187-200, issn 0020-7608Article

Structure and electronic properties of nitrogen-containing carbon nanotubesYUANHE HUANG; JIPENG GAO; RUOZHUANG LIU et al.Synthetic metals. 2000, Vol 113, Num 3, pp 251-255, issn 0379-6779Article

Non-monotonous crossover between capillary condensation and interface localisation/delocalisation transition in binary polymer blendsMÜLLER, M; BINDER, K; ALBANO, E. V et al.Europhysics letters (Print). 2000, Vol 50, Num 6, pp 724-730, issn 0295-5075Article

Multifrequency operation of a gyrotron : Special Issue on Cyclotron Resonance Masers and GyrotronsDUMBRAJS, O; ANDERER, J; ILLY, S et al.IEEE transactions on plasma science. 1999, Vol 27, Num 2, pp 327-329, issn 0093-3813Article

An accurate determination of three-body intermolecular forces in the helium trimerFU-MING TAO.Chemical physics letters. 1994, Vol 227, Num 4-5, pp 401-404, issn 0009-2614Article

Complete active space coupled-cluster method. Extension of single-reference coupled-cluster method using the CASSCF wavefunctionSTOLARCZYK, L. Z.Chemical physics letters. 1994, Vol 217, Num 1-2, pp 1-6, issn 0009-2614Article

Semiclassical quantization of doubly excited intrashell resonances of the helium atomFARRELLY, D; EMMEL, M. D.Chemical physics letters. 1994, Vol 217, Num 5-6, pp 520-524, issn 0009-2614Article

The structure and conformation of 4-hydroxyphenyl terephthalate : a model compound for a liquid crystalline polyesterSAEBØ, D. B; OLDHAM, P. B; SAEBØ, S et al.Journal of molecular structure. Theochem. 1994, Vol 312, Num 1, pp 35-40, issn 0166-1280Article

Comparison of 6-31G^*-based MST/SCRF and FEP evaluations of the free energies of hydration for small neutral moleculesOROZCO, M; JORGENSEN, W. L; LUQUE, F. J et al.Journal of computational chemistry. 1993, Vol 14, Num 12, pp 1498-1503, issn 0192-8651Article

Local superdirect self-consistent fieldCHUNYANG PENG; BOGGS, J. E.The Journal of chemical physics. 1993, Vol 99, Num 10, pp 7825-7832, issn 0021-9606Article

SCF calculations on MIMD type parallel computersBURKHARDT, A; WEDIG, U; SCHNERING, H. G et al.Theoretica chimica acta. 1993, Vol 86, Num 6, pp 497-510, issn 0040-5744Article

The use of molecular dynamics simulations with ab initio SCF calculations for the determination of the oxygen-17 quadrupole coupling constant in liquid waterEGGENBERGER, R; GERBER, S; HUBER, H et al.Molecular physics (Print). 1993, Vol 80, Num 5, pp 1177-1182, issn 0026-8976Article

Comparison of soliton geometry and charge-density wave struture, and band gaps, between odd polyene and symmetrical polymethine cyanine (Brooker) ions and t-polyacetylene : SCF and model Hamiltonian approaches with implication for molecular wires and switchesREIMERS, J. R; CRAW, J. S; WONG, A et al.Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals. 1993, Vol 234-36, pp 51-57, issn 1058-725XConference Paper

Temperature-induced plasmons in a graphite sheetLIN, M.-F; SHYU, F.-L.Journal of the Physical Society of Japan. 2000, Vol 69, Num 2, pp 607-610, issn 0031-9015Article

Dilatation transformation and sum rules for general potentials including self-consistent field potentialsCEDERBAUM, L. S; WINKLER, P.Theoretica chimica acta. 1994, Vol 88, Num 3, pp 257-270, issn 0040-5744Article

The vibrations of benzene, studied by 'Multimode'SENENT, Maria-Luisa; PALMIERI, Paolo; CARTER, Stuart et al.Chemical physics letters. 2002, Vol 354, Num 1-2, pp 1-8, issn 0009-2614Article

Plasmon dispersion and damping in double-layer electron systemsDAVOUDI, B; TANATAR, B.Solid state communications. 2000, Vol 117, Num 2, pp 89-92, issn 0038-1098Article

A self-consistent field solution for buckminsterfullereneDESPA, F.Fullerene science and technology. 1999, Vol 7, Num 1, pp 49-57, issn 1064-122XArticle

Quantum chemistry : Large molecules - small computersAHLRICHS, R; ELLIOTT, S. D; HUNIAR, U et al.Berichte der Bunsen-Gesellschaft. 1998, Vol 102, Num 6, pp 795-804, issn 0940-483XArticle