Pauling's Legacy by Z.B. Maksić, W.J. Orville-Thomas

By Z.B. Maksić, W.J. Orville-Thomas

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In our recent work we have also taken a different approach [14-22] which is based on an effective, rather than explicit, separation of the CM motion. The separation is not done at the coordinate level but in the Hamiltonian. (1). This Hamiltonian can always be separated into the internal Hamiltonian, H ~ t , and the Hamiltonian representing the kinetic energy of the CM motion, TCM -- P'~'" 2M Htot - TCM + HiNt. (14) Due to this separation, the total wave function can always be represented as a product of the (~CM~I~t.

Rev. A 18 (1978) 2150. E . Deumens, L. Lathouwers, P. Van Leuven, and Y. O h m , Int. J . Quant. Chem. Symp. 18 (1984) 339. L. Lathouwers and P. Van Leuven, Int. J . Quant. Chem. Symp. 12 (1978) 371. L. Lathouwers and P. Van Leuven, Chem. Phys. Lett. 67 (1979) 436. E. Deumens, L. Lathouwers, and P. Van Leuven, Chem. Phys. Lett. 112 (1984) 341. 10. S. Aronowitz, Int. J . Quant. Chem. 14 (1978) 253. 1 1 . W. York, 1992. 12. P. Claverie and G. Jona-Lasinio, Phys. Rev. A 33 (1986) 2245. 13. F. Hund, Z.

999 : ] (30) amn B These functions, hereafter referred to simply as "r will serve as multi-parameter expansion functions for representing the variational non-adiabatic wave functions corresponding ,ij is a product of "disto the ground rotational states ( J - 0) 9 In Ck the term l-Ii

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