Long-range interactions of lithium atoms
نویسندگان
چکیده
The long-range interactions of two atoms, of an atom and a dielectric wall, of an atom and a perfectly conducting wall, and of an atom between two perfectly conducting walls are calculated, including the effects of retardation, for Li using dynamic polarizabilities determined from highly correlated, variationally determined wave functions. PACS numbers: 34.50.Dy, 31.90.+s, 31.30.Jv Typeset using REVTEX 1
منابع مشابه
Nature of Lithium Interactions with DNA Nucleobases: Theoretical Study
In the present study, the interactions of three different lithium species Li+, Li3+ and CH3Li with several different sites of the most stable tautomers of DNA nucleo-bases are presented. This investigation is based on the results of thermochemical properties, Quantum Theory of Atoms in Molecules (QTAIM) and Natural Bond Orbi...
متن کاملCfA 4463 Long-range interactions of lithium atoms
The long-range interactions of two atoms, of an atom and a dielectric wall, of an atom and a perfectly conducting wall, and of an atom between two perfectly conducting walls are calculated, including the effects of retardation, for Li using dynamic polarizabilities determined from highly correlated, variationally determined wave functions. PACS numbers: 34.50.Dy, 31.90.+s, 31.30.Jv Typeset usin...
متن کاملInterplay Between Lithium Bonding and Halogen Bonding in F3CX•••YLi•••NCCN and F3CX•••NCCN•••LiY Complexes (X = Cl, Br; Y = CN, NC)
MP2 calculations with cc-pVTZ basis set were used to analyze intermolecular interactions in F3CX···YLi···NCCN and F3CX···NCCN···LiY triads (X = Cl, Br; Y = CN, NC) which are connected via halogen and lithium bonds. Those complexes with the role of LiY as halogen acceptor and lithium donor show cooperativity with energy values ranging between -1.97 and -2.92 kJ mol...
متن کاملThe long-range non-additive three-body dispersion interactions for the rare gases, alkali, and alkaline-earth atoms.
The long-range non-additive three-body dispersion interaction coefficients Z(111), Z(112), Z(113), and Z(122) are computed for many atomic combinations using standard expressions. The atoms considered include hydrogen, the rare gases, the alkali atoms (up to Rb), and the alkaline-earth atoms (up to Sr). The term Z(111) arising from three mutual dipole interactions is known as the Axilrod-Teller...
متن کاملAb Initio Studies on the Interplay between Unconventional B•••X Halogen Bond and Lithium/Hydrogen/Halogen Bond in HB(CO)2•••XCN•••YF (X = Cl, Br; Y = Li, H, Cl) Complexes
In this paper, ab initio calculations were performed on the ternary complex formed by HB(CO)2, XCN (X = Cl, Br) and YF (Y = Li, H, Cl). In these complexes boron act as a non-classical electron donor to form a unconventional halogen bond. The cooperative effect between the B•••X halogen bond and lithium/hydrogen/halogen bond was investigated. The calculated results show that the B•••X and N•••Y ...
متن کامل