Parameter values: alpha values in bohr^(-1) and rho values in bohr; DeltaE values in microHartree. ********* Table I ********** Fitted models for the Ne...CH4 complex: C...Ne pair repulsion only. =============================================== C0 C1 C2 ----------------------------------------------- alpha_00 1.799 2.011 2.044 alpha_30 -0.109 alpha_33c -0.098 alpha_40 0.019 alpha_43c -0.033 rho_00 6.155 6.184 6.176 rho_30 0.440 0.473 rho_33c 0.393 0.423 rho_40 0.071 0.069 rho_43c -0.120 -0.116 ----------------------------------------------- DeltaE 413 32 29 =============================================== ********* Table II ********** Fitted models for the Ne..CH4 complex: H...Ne pair repulsion only. ===================================================================== H0 H1 H2 H3 H4 H5 --------------------------------------------------------------------- alpha_00 1.804 2.034 2.012 2.129 2.123 2.121 alpha_10 -0.145 -0.133 -0.130 rho_00 4.815 4.913 5.022 4.955 4.939 4.920 rho_10 -0.354 -0.529 -0.436 -0.396 -0.354 rho_20 -0.471 0.074 0.035 rho_30 0.896 0.020 0.032 rho_33c 0.256 0.005 0.004 rho_40 -0.571 rho_43c -0.205 rho_50 0.155 rho_53c 0.061 --------------------------------------------------------------------- DeltaE 153 12 4 5 2 2 ===================================================================== ********* Table III ********** Fitted models for the Ne...CH4 complex: C...Ne and H...Ne pair repulsion. ====================================================== CH0 CH1 CH2 CH3 ------------------------------------------------------ alpha_00^(C) 3.179 2.487 1.297 2.603 alpha_30^(C) -0.040 -0.490 alpha_33c^(C) -0.036 -0.439 rho_00^(C) 5.427 5.616 4.503 5.328 rho_30^(C) 0.166 1.014 0.132 rho_33c^(C) 0.148 0.907 0.118 rho_40^(C) 0.116 rho_43c^(C) -0.197 alpha_00^(H) 1.921 1.910 2.132 1.984 rho_00^(H) 4.632 4.549 4.894 4.769 rho_10^(H) -0.442 -0.219 ------------------------------------------------------ RMS 31 11 6 2 ====================================================== ********* Table IV ********** Combining-rule models for the CH4...CH4 complex. ===================================================== Pair Type CH3 H5 ----------------------------------------------------- alpha_00 2.753 alpha_30 -0.548 C(C) alpha_33c -0.491 rho_00 5.788 rho_30 0.132 rho_33c 0.118 ---------------------------------------------------- H(C) alpha_00 2.070 C(H) alpha_30 -0.310 C(H) alpha_33c -0.277 H(C) rho_00 5.229 H(C) rho_10 -0.219 C(H) rho_30 0.132 C(H) rho_33c 0.118 ---------------------------------------------------- alpha_00 1.658 1.859 alpha_10 -0.100 H(H) rho_00 4.669 4.972 rho_10 -0.219 -0.354 rho_30 0.032 rho_33c 0.004 ---------------------------------------------------- RMS(E) 585 411 RMS(R) 0.33 0.22 ===================================================== ********* Table VI ********** H-site fitted models for the CH4...CH4 complex. =========================================================== H1 H5 H1+ H1++ ----------------------------------------------------------- alpha_00^(H) 1.855 1.841 1.868 1.919 alpha_10^(H) 0.016 -0.058 rho_00^(H) 4.793 4.793 4.783 4.803 rho_10^(H) -0.304 -0.307 -0.276 -0.305 rho_30^(H) -0.003 rho_33c^(H) 0.007 rho_(10,10,0)^(HH) 0.048 0.015 rho_(10,10,2)^(HH) 0.048 ----------------------------------------------------------- RMS 40 37 33 27 ===========================================================