Dipole Polarizabilities of Li, C, and O and Long-Range Coefficients for Various Molecular States of Li2, CO, and O2

Application of direct potential fitting to line position data for the and states of Li2

“…(5) is known. For the X state of Li 2 with n = 6, several theoretical estimates of 10 À6 C 6 = 6.655 (39) [35], 6.694 (39) [36], 6.698 [37], 6.698 [38], and 6.665 cm À1 Å 6 [39] are in excellent agreement with the value of C 6 = 6.689 · 10 6 cm À1 Å 6 obtained in the more recent work of Marinescu et al [40], but somewhat less than that (6.80 · 10 6 cm À1 Å 6 ) obtained in the most recent study by Rérat et al [41]. In the present work, we have used the result obtained in [40].…”

“…In the present work, we have used the result obtained in [40]. For the A state with n = 3, the experimental result of Linton et al [7], 10 À5 C 3 = 3.58(1) cm À1 Å 3 is in excellent agreement with the theoretical values of 10 À5 C 3 = 3.584 [42], 3.581 [43], and 3.58 [41], but is somewhat less than the value of 3.607 obtained by Abraham et al [8]. We have employed the value of C 3 = 3.584 · 10 5 cm À1 Å 3 [42] as this resulted in a slightly better fit quality than for the fit using the value of [43].…”

Ab InitioMRCI Calculation and Modeling of theA1ΠPotential Energy Curve of CO

“…Note further that in the balance between the R Ϫ6 long range attractive interaction and the exponential decay of the repulsive asymptotic exchange the first term always dominates at large internuclear distances. Moreover, it should be pointed out that C 5 ϭ 0 for the A 1 ⌸ state of CO (9,18). Figure 1 shows the application of the EHFACE2 and RKHS methods to the A 1 ⌸ potential energy curve.…”

Long-range additive and nonadditive potentials in a hybrid system: Ground state atom, excited state atom, and ion

“…where (α p i zz , α p i xx ) are the polarizability components, respectively, with z and x the directions of an applied electric field [66][67][68][69], α 1 and α T 1 are the principal scalar and tensor polarizibilities of Li(2 2 P ) atom [65], and P 2 (cos θ i ) is the Legendre polynomial. The comparison of the polarizability components (α p 1 zz , α p 1 xx ) and (α p 3 zz , α p 3 xx ) is given in Table . III.…”

“…According to the symmetry of the degenerate system [66][67][68][69], we can connect the polarizability components (α p 3 zz , α p 3 xx ) with the principal polarizabilities, scalar (α 1 ) and tensor (α T 1 ), of the Li(2 2 P ) atom by α 1 = 1 3 (α p 3 zz + 2α p 3 xx ) and α T 1 = 2 3 (α p 3 zz − α p 3 xx ). For example, using the present data from Table III (M ) at orientation p i .…”