A study of weakly interacting systems in localized representation, including the many-body effect
暂无分享,去创建一个
[1] E. Tfirst,et al. DECOMPOSITION OF THE TOTAL ENERGY AT THE HF-SCF LEVEL AND AT SEVERAL LEVELS OF CORRELATION. I. A STUDY OF THE INTERACTION IN CLUSTERS OF HE, NE AND AR ATOMS , 1996 .
[2] J. Pipek,et al. Application of the localized representation for studying interaction energies , 1996 .
[3] K. Morokuma,et al. The potential energy function for a ligand substitution reaction of square‐planar platinum (II) complex in water: The important role of three‐body effect , 1995 .
[4] S. Xantheas,et al. The Hamiltonian for a weakly interacting trimer of polyatomic monomers , 1995 .
[5] A. van der Avoird,et al. Symmetry‐adapted perturbation theory of nonadditive three‐body interactions in van der Waals molecules. I. General theory , 1995 .
[6] K. Fink,et al. Ab initio calculations of van der Waals interactions in one‐ and two‐dimensional infinite periodic systems , 1995 .
[7] G. W. Robinson,et al. Towards a new correction method for the basis set superposition error: Application to the ammonia dimer , 1995 .
[8] J. V. Lenthe,et al. State of the Art in Counterpoise Theory , 1994 .
[9] M J Elrod,et al. Many-body effects in intermolecular forces. , 1994, Chemical reviews.
[10] F. Tao. An accurate determination of three-body intermolecular forces in the helium trimer , 1994 .
[11] C. Kozmutza,et al. Correlation energies in the interaction energy of molecules. The water dimer , 1994 .
[12] K. Morokuma,et al. Potential energy surface for the ligand substitution reaction of the square-planar platinum(II) complex. Essential role of the repulsive three-body effect , 1994 .
[13] James B. Anderson,et al. The interaction potential of a symmetric helium trimer , 1994 .
[14] E. Tfirst,et al. Decomposition of the interaction correlation energy in terms of localized orbital contributions , 1994 .
[15] Peter Pulay,et al. Efficient elimination of basis set superposition errors by the local correlation method: Accurate ab initio studies of the water dimer , 1993 .
[16] C. E. Dykstra,et al. Pairwise and many‐body contributions to interaction potentials in Hen clusters , 1993 .
[17] M. Szczęśniak,et al. Ab initio calculations of nonadditive effects , 1992 .
[18] C. Kozmutza,et al. Calculation of the dispersion interaction energy by using localized molecular orbitals , 1991 .
[19] C. Kozmutza,et al. Localized orbitals for the description of molecular interaction , 1990 .
[20] M. Szczęśniak,et al. Calculations of nonadditive effects by means of supermolecular Mo/ller–Plesset perturbation theory approach: Ar3 and Ar4 , 1990 .
[21] C. Kozmutza,et al. Application of the many‐body perturbation theory by using localized orbitals , 1983 .
[22] Vladimír Kvasnička,et al. Wigner's (2n + 1) rule in MBPT , 1980 .
[23] J. Pople,et al. Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions , 1980 .
[24] Estela Blaisten-Barojas,et al. Role of three‐body interactions in trimer binding , 1977 .
[25] S. F. Boys,et al. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors , 1970 .