具体考察了H2^+基态近似解析波函数φH2^+=1/2√1+S(φH(z,ra)+φH(z,rb))对振动能级的影响,得到了基于此波函数的波恩-奥本海默近似下的H2^+势能曲线的解析表达式,并由此计算了振动能.结果发现,当仅考虑H2^+的基态,z取1.23时,振动能级和平衡位置都与实验值相符.当考虑较高的振动能级时,波函数中的z取1.13会更合理,因此时的振动能级和实际振动能级值符合得很好.
This paper studied the effect of approximate analytic wave function of the ground 1 state of φH2^+=1/2√1+S(φH(z,ra)+φH(z,rb)) on its vibrational levels. Potential energy as a function of internuclear distance and z was calculated, and vibrational energy levels of the ground state were also worked out. By comparing them with experimental vibrational energy levels, it was found that this wave function with z = 1.23 works very well for ground vibrational level of H2^+. But for higher vibrational levels, z = l. 13 is better.