Relation between properties of long-range diatomic bound states

TY - JOUR

T1 - Relation between properties of long-range diatomic bound states

AU - Spirko, Vladimir

AU - Sauer, Stephan P. A.

AU - Szalewicz, Krzysztof

PY - 2013/1/23

Y1 - 2013/1/23

N2 - Long-range states of diatomic molecules have average values of internuclear separations R at least one order of magnitude larger than the equilibrium value of R. For example, the helium dimer 4He2 has a single bound state with R of about 50 Å. We show that the properties of these states, such as R, the dissociation energy, or the s-wave scattering length, can be related by simple, yet very accurate, formulas if a potential-energy curve is known. By examining a range of ab initio and empirical helium dimer potentials as well as scaling these potentials, we found that the formulas remain accurate, even if very approximate potentials were used. In addition to 4He2, we present results for 9Be2,20Ne2, and KRb.

AB - Long-range states of diatomic molecules have average values of internuclear separations R at least one order of magnitude larger than the equilibrium value of R. For example, the helium dimer 4He2 has a single bound state with R of about 50 Å. We show that the properties of these states, such as R, the dissociation energy, or the s-wave scattering length, can be related by simple, yet very accurate, formulas if a potential-energy curve is known. By examining a range of ab initio and empirical helium dimer potentials as well as scaling these potentials, we found that the formulas remain accurate, even if very approximate potentials were used. In addition to 4He2, we present results for 9Be2,20Ne2, and KRb.

U2 - 10.1103/physreva.87.012510

DO - 10.1103/physreva.87.012510

M3 - Journal article

SN - 2469-9926

VL - 87

JO - Physical Review A - Atomic, Molecular, and Optical Physics

JF - Physical Review A - Atomic, Molecular, and Optical Physics

IS - 1

M1 - 012510

ER -