Farrokhpour, HosseinMombeini, ZainabNamazian, MansoorCoote, Michelle2015-12-100192-8651http://hdl.handle.net/1885/58337A new four-dimensional intermolecular potential energy surface for CS 2 dimer is obtained by ab initio calculation of the interaction energies for a range of configurations and center-of-mass separation distances for the first time. The calculations wereKeywords: Basis set superposition errors; CCSD(T); CS dimer; isotropic dipole-dipole dispersion coefficient; QCISD(T); theory; Dimers; Dispersions; Extrapolation; Potential energy; Quantum chemistry; Potential energy surfaces; carbon disulfide; article; chemistry; basis-set superposition error; CCSD(T); CS2 dimer; extrapolation; isotropic dipole-dipole dispersion coefficient; MØller-Plesset second-order perturbation (MP2); potential energy surface; QCISD(T); theory201110.1002/jcc.216582016-02-24