Untitled

Unified treatment for the evaluation of arbitrary multielectron multicenter molecular integrals over Slater‐type orbitals with noninteger principal quantum numbers

“…In case of noninteger parameter N , the quantity F m ( N ) replaces by f m ( N ) as given in Ref. 16: and taking into account the asymptotic behavior of the gamma function, for m → ∞, the function f m ( N ) takes the form …”

“…(17) are two‐center overlap integrals over integer and noninteger n ‐STOs, respectively, for which the analytic formulae are presented in Ref. 16.…”

“…Two‐center nuclear attraction integrals over noninteger n ‐STOs are defined by the integral representations Using the same procedure in Section 4.1 we obtain the following expression for two‐center nuclear attraction integrals over noninteger n ‐STOs: Here, U ( A , B ) and $\tilde{U}$ ( A , B ) are two‐center nuclear attraction integrals over integer and noninteger n ‐STOs, respectively, for which the analytic formulae are presented in Ref. 16a.…”

“…Recently, we presented an algorithm for the evaluation of two‐center overlap and nuclear attraction integrals over noninteger n ‐STOs based on the ellipsoidal coordinates method 16.…”

A Product Operator Theory of DEPTQ NMR Spectroscopy for ISn(I = 1/2; S = 1; n = 0, 1, 2, 3) Spin Systems

“…For weakly coupled IS (I = 1/2, S = 1) spin system, a complete product operator theory and application to DEPT-heteronuclear multiple quantum coherence (HMQC) NMR experiment has been presented in our study [19]. A product operator description of the DEPTQ experiment for IS n (I = 1/2, S = 1/2, n = 0, 1, 2, 3) spin systems have been presented [22]. In the present study, by using product operator theory analytical descriptions of DEPTQ experiment have been presented for weakly coupled IS n (I = 1/2; S = 1; n = 0, 1, 2, 3) spin systems.…”