02036nas a2200193   4500008004100000022001400041245016500055210006900220260007900289300001100368490000700379520123500386100001801621700002001639700002201659700001801681700001601699856012701715       2015                        eng d  a2469-992600aImplementation of the Z-vector method in the relativistic-coupled-cluster framework to calculate first-order energy derivatives: Application to the SrF molecule0 aImplementation of the Zvector method in the relativisticcoupledc  aONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USAbAMER PHYSICAL SOCcMAR  a0305030 v913 a<p>The molecular dipole moment and magnetic hyperfine-structure constant demand an accurate wave function far from the nucleus and in the near nuclear region, respectively. We, therefore, employ the so-called Z-vector method in the domain of relativistic-coupled-cluster theory to calculate the first-order property of molecular systems in their open-shell ground-state configuration. The implemented method is applied to calculate the molecular dipole moment and parallel component of the magnetic hyperfine-structure constant of the SrF molecule. The results of our calculation are compared with the experimental and other available theoretically calculated values. We are successful in achieving good accordance with the experimental results. The result of our calculation of the molecular dipole moment is in the accuracy of similar to 0.5%, which is clearly an improvement over the previous calculation based on the expectation value method in the four-component coupled-cluster framework [V. S. Prasannaa et al., Phys. Rev. A 90, 052507 (2014)]. Thus, it can be inferred that the Z-vector method can provide an accurate wave function in both the near and far nuclear region, which is evident from our calculated results.</p>1 aSasmal, Sudip1 aPathak, Himadri1 aNayak, Malaya, K.1 aVaval, Nayana1 aPal, Sourav  uhttps://library.ncl.res.in/content/implementation-z-vector-method-relativistic-coupled-cluster-framework-calculate-first-1