H2^＋基态近似解析波函数对振动能级影响的研究

Effect on vibrational levels of H_2^+ by its approximate analytic wave function for the ground state

具体考察了H_2^+基态近似解析波函数■H_2^+=1/(2(1+S)^(1/(1+S)))(■H(z,r_u)+■H(z,r_b))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H_2^+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H_2^+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.