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On nonadiabatic SCF calculations of molecular propertiesFERNANDEZ, Francisco M.Journal of physics. B. Atomic, molecular and optical physics (Print). 2010, Vol 43, Num 2, issn 0953-4075, 025101.1-025101.3Article

Long-wavelength instability in a double-electron-quantum-wire structureMOUDGIL, K.Journal of physics. Condensed matter (Print). 2000, Vol 12, Num 8, pp 1781-1788, issn 0953-8984Article

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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

Electron-spin cross relaxation in electron-nuclear coupled systems. A self-consistent model for electron-electron double resonanceZHONG, Y. C; PILBROW, J. R.Journal of magnetic resonance. Series A (Print). 1995, Vol 112, Num 1, pp 109-111, issn 1064-1858Article

The influence of oxygen adsorption on the electronic structure of copper phthalocyanineSZCZEPANIAK, B; BRAGIEL, P.Vacuum. 1995, Vol 46, Num 5-6, pp 465-467, issn 0042-207XConference Paper

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

First-Order Dyson Coordinates and GeometryHERMES, Matthew R; HIRATA, So.The journal of physical chemistry. A. 2013, Vol 117, Num 32, pp 7179-7189, issn 1089-5639, 11 p.Article

Properties of an S=1 antiferromagnetic Heisenberg chain with single-ion anisotropyHONG CHEN; LU YU; ZHAO-BIN SU et al.Physical review. B, Condensed matter. 1993, Vol 48, Num 17, pp 12692-12697, issn 0163-1829Article

Three-body calculations in laboratory-fixed hyperspherical coordinates: convergence properties using numerical wavefunctions as applied to the positronium ion e^-₃BURDEN, F. R; SUTCLIFFE, B. T.Molecular physics (Print). 1993, Vol 80, Num 2, pp 383-389, issn 0026-8976Article

Simulation des effets de solvant dans les calculs quantiques de structure moléculaireDillet, Valérie; Rinaldi, Daniel.1993, 109Thesis

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