A combination of quasirelativistic pseudopotential and ligand field calculations for lanthanoid compoundsDOLG, M; STOLL, H; PREUSS, H et al.Theoretica chimica acta. 1993, Vol 85, Num 6, pp 150-441, issn 0040-5744Article

Ab initio CI calculation of nuclear quadrupole coupling constants of low-lying rovibrational levels in the X ¹Σ⁺ state of CH⁺FISER, J; VOJTIK, J.Chemical physics. 1993, Vol 171, Num 3, pp 319-324, issn 0301-0104Article

Accuracy of energy-adjusted quasirelativistic ab initio pseudopotentials : all-electron and pseudopotential benchmark calculations for Hg, HgH and their cationsHÄUSSERMANN, U; DOLG, M; STOLL, H et al.Molecular physics (Print). 1993, Vol 78, Num 5, pp 1211-1224, issn 0026-8976Article

Spectroscopic constants and potential energy curves of SnBrBALASUBRAMANIAN, K.Journal of molecular spectroscopy (Print). 1993, Vol 157, Num 1, pp 268-270, issn 0022-2852Article

Finite nuclear size corrections to the energy levels of the multicharged ionsSHABAEV, V. M.Journal of physics. B. Atomic, molecular and optical physics (Print). 1993, Vol 26, Num 6, pp 1103-1108, issn 0953-4075Article

Multiple-scattered, relativistic and correlated method (MS-RCΞ) for moleculesVIJAYAKUMAR, M; GOPINATHAN, M. S.The Journal of chemical physics. 1993, Vol 98, Num 5, pp 4009-4014, issn 0021-9606Article

Relativistic and correlation effects for element 105 (Hahnium, Ha). A comparative study of M and MO (M = Nb, Ta, Ha) using energy-adjusted ab initio pseudopotentialsDOLG, M; STOLL, H; PREUSS, H et al.Journal of physical chemistry (1952). 1993, Vol 97, Num 22, pp 5852-5859, issn 0022-3654Article

Universal Gaussian basis set for relativistic calculations on atoms and moleculesMALLI, G. L; DA SILVA, A. B. F; ISHIKAWA, Y et al.Chemical physics letters. 1993, Vol 201, Num 1-4, pp 37-40, issn 0009-2614Article

Bethe logarithm and Lamb shift for the hydrogen molecular ionBUKOWSKI, R; JEZIORSKI, B; MOSZYNSKI, R et al.International journal of quantum chemistry. 1992, Vol 42, Num 2, pp 287-319, issn 0020-7608Article

Cutoff errors in the Ewald summation formulae for point charge systemsKOLAFA, J; PERRAM, J. W.Molecular simulation. 1992, Vol 9, Num 5, pp 351-368, issn 0892-7022Article

Relativistic ab initio calculation of the xenon 5s ionization spectra for the (γ,e) and (e,2e) reactionsKHEIFETS, A. S; AMUSIA, M. Y.Physical review. A. 1992, Vol 46, Num 3, pp 1261-1269, issn 1050-2947Article

Relativistic configuration interaction studies of fine structure splittings and transition wavelengths of K-like ionsYANG, L; LI, J. M.Journal of physics. B. Atomic, molecular and optical physics (Print). 1992, Vol 25, Num 3, pp 649-655, issn 0953-4075Article

Comment on relativistic excitation energies and oscillator strengths for the 6s²¹S_o→6s6p¹P₁, ³P₁ transitions in Hg-like ionsPINNINGTON, E. H; BAYLIS, W. E.Physical review. A. 1992, Vol 46, Num 11, pp 7325-7327, issn 1050-2947Article

Negative ions of inert gasesGLUSHKOV, A. V; PARSONS, D.JETP letters. 1992, Vol 55, Num 2, pp 97-100, issn 0021-3640Article

Large multiconfigurational Hartree-Fock calculations on the hyperfine-structure constants of the ⁷Li 2s ²S and 2p ²P statesCARLSSON, J; JÖNSSON, P; FISCHER, C. F et al.Physical review. A. 1992, Vol 46, Num 5, pp 2420-2425, issn 1050-2947Article

Leading radiative corrections for atoms in the Dirac-Fock approximationFELDMAN, G; FULTON, T; INGHAM, J et al.Annals of physics (Print). 1992, Vol 219, Num 1, pp 1-41, issn 0003-4916Article

Theoretical study of the lowest electronic states of CaH and CaH⁺ moleculesBOUTALIB, A; DAUDEY, J. P; EL MOUHTADI, M et al.Chemical physics. 1992, Vol 167, Num 1-2, pp 111-120, issn 0301-0104Article

The molecular structure of pentastanna[1.1.1]propellane and bicyclo[1.1.1]pentastannane from the quasi-relativistic SIC-MS-Xα theoryGALLEGO-PLANAS, N; WHITEHEAD, M. A.Journal of molecular structure. Theochem. 1992, Vol 260, pp 419-432, issn 0166-1280Article

Electron-nuclear coupling in the hyperfine structure of the hydrogen molecular ionBABB, J. F; DALGARNO, A.Physical review letters. 1991, Vol 66, Num 7, pp 880-882, issn 0031-9007, 3 p.Article

Hyperfine structure of excited alkali states using quantum beat spectroscopyVAN WIJNGAARDEN, W. A; SAGLE, J.Journal of physics. B. Atomic, molecular and optical physics (Print). 1991, Vol 24, Num 5, pp 897-903, issn 0953-4075, 7 p.Article

Interpretation of photoelectron spectra for ThF₄, UF₄, ThCl₄, and UCl₄ in terms of relativistic local-density molecular orbital calculationsPIERLOOT, K; RENDERS, A; GOODMAN, G. L et al.The Journal of chemical physics. 1991, Vol 94, Num 4, pp 2928-2939, issn 0021-9606, 12 p.Article

Pseudopotential approaches to Ca, Sr, and Ba hydrides. Why are some alkaline earth MX₂ compounds bent ?KAUPP, M; SCHLEYER, P. V. R; STOLL, H et al.The Journal of chemical physics. 1991, Vol 94, Num 2, pp 1360-1366, issn 0021-9606, 7 p.Article

Intensity fluctuations of resonance fluorescence in the presence of hyperfine structure of the combining statesKISELEV, A. A; LYAPTZEV, A. V; ROSANOV, A. A et al.Optics and spectroscopy. 1991, Vol 70, Num 6, pp 694-697, issn 0030-400XArticle

Lamb shift in the n=4 state of He⁺MOHR, P. J.Physical review. A. 1991, Vol 44, Num 7, pp R4089-R4090, issn 1050-2947Article

Optimization of molecular structures by self-consistent and nonlocal density-functional theoryFAN, L; ZIEGLER, T.The Journal of chemical physics. 1991, Vol 95, Num 10, pp 7401-7408, issn 0021-9606Article