Publisher's Note: “Intermolecular potential energy surface and thermophysical properties of ethylene oxide” [J. Chem. Phys. 141, 164322 (2014)]

Comment on "The dependence of homogeneous nucleation rate on supersaturation" [J. Chem. Phys. 141, 024307 (2014)].

Intermolecular potential energy surface and thermophysical properties of the CH4-N2 system.

A five-dimensional potential energy surface (PES) for the interaction of a rigid methane molecule with a rigid nitrogen molecule was determined from quantum-chemical ab initio calculations. The counterpoise-corrected supermolecular approach at the CCSD(T) level of theory was utilized to compute a total of 743 points on the PES. The interaction energies were calculated using basis sets of up to ...

Comment on "An exact quantum Monte Carlo calculation of the helium-helium intermolecular potential" [J. Chem. Phys. 115, 4546 (2001)].

In 1993 we reported ‘‘exact’’ quantum Monte Carlo ~QMC! calculations of potential energies for the interaction of two helium atoms. For the equilibrium internuclear distance of 5.6 bohr, the calculated interaction energy was 211.01 K with an uncertainty of 60.10 K ~1s!. By 2001 competing methods had achieved similar accuracies in the interaction energies and we repeated our calculations with fa...

Publisher's Note: "The total position-spread tensor: Spin partition" [J. Chem. Phys. 142, 094113 (2015)].

Comment on "Density functional theory analysis of structural and electronic properties of orthorhombic perovskite CH3NH3PbI3" by Y. Wang et al., Phys. Chem. Chem. Phys., 2014, 16, 1424-1429.

Yun Wang et al. used density functional theory (DFT) to investigate the orthorhombic phase of CH3NH3PbI3, which has recently shown outstanding properties for photovoltaic applications. Whereas their analysis of ground state properties may represent a valuable contribution to understanding this class of materials, effects of spin-orbit coupling (SOC) cannot be overlooked as was shown in earlier ...