- 作者: K. T. Tanga,b, J. P. Toenniesa and C. L. Yiua,b
- 中文摘要:
aMax-Planck-Institut fur Stromungsforschung, Bunsenstrasse 10, Gottingen, Germany
bDepartment of Physics, Pacific Lutheran University, Tacoma, Washington 98447, U.S.A
The exchange energy for the H2 molecule is calculated for a wide range of internuclear distance R extending down to R = 0.5 a0 using the surface integral method. This method accounts for the physical exchange of the two electrons between the two nuclei. The good agreement of the present results with the standard Heitler-London calculation demonstrates that the exchange energy can indeed be described in terms of electrons hopping back and forth between the nuclei, an interpretation which has been frequently criticized in the past. - 英文摘要: --
- 中文關鍵字: --
- 英文關鍵字: --