Asymptotic behavior of two-electron expectation values in two-electron excited states

Publication date: Available online 27 September 2019Source: Physics Letters AAuthor(s): H.E. Montgomery, Jacob Katriel, K.D. SenAbstractSingly-excited states of the two-electron atom cease being bound when Z→1 (from above), the outer orbital becoming infinitely diffuse. The asymptotic relationslimZ→1⁡(Z−1)k〈(1sns)1,3S|r12k|(1sns)1,3S〉=〈(n−1)s(0)|rk|(n−1)s(0)〉, where k=−1,1,2,3,⋯, are demonstrated to hold. Here, (n−1)s(0) is a hydrogenic s orbital with principal quantum number (n−1). New, more nuanced light is shed on the already challenged dogma that the Pauli principle keeps the electrons further apart in the triplet than in the corresponding singlet.Graphical abstract

Source: Physics Letters A - September 28, 2019 Category: Physics Source Type: research