@article{995be775d26f4aaba1a09d0893c7a02f,

title = "Leading relativistic corrections for atomic P states calculated with a finite-nuclear-mass approach and all-electron explicitly correlated Gaussian functions",

abstract = "In this work we report progress in the development and implementation of quantum-mechanical methods for calculating bound ground and excited states of small atomic systems. The work concerns singlet states with the L=1 total orbital angular momentum (P states). The method is based on the finite-nuclear-mass (non-Born-Oppenheimer; non-BO) approach and the use of all-particle explicitly correlated Gaussian functions for expanding the nonrelativistic wave function of the system. The development presented here includes derivation and implementation of algorithms for calculating the leading relativistic corrections for singlet states. The corrections are determined in the framework of the perturbation theory as expectation values of the corresponding effective operators using the non-BO wave functions. The method is tested in the calculations of the ten lowest P1 states of the helium atom and the four lowest P1 states of the beryllium atom.",

author = "Monika Stanke and Amir Bralin and Sergiy Bubin and Ludwik Adamowicz",

note = "Funding Information: This work of M.S. has been supported by the Polish National Science Centre under Grant No. DEC-2013/10/E/ST4/00033. The work of S.B. has been supported by the Ministry of Education and Science of Kazakhstan. L.A. acknowledges partial support by the NSF under Grant No. 1228509. The authors are grateful to Professor Gordon W. F. Drake (University of Windsor) for useful discussions. The authors are also grateful to the University of Arizona Recearch Computing and Nazarbayev University Library and IT Services for providing computational resources for this work. Funding Information: This work of M.S. has been supported by the Polish National Science Centre under Grant No. DEC-2013/10/E/ST4/00033. The work of S.B. has been supported by the Ministry of Education and Science of Kazakhstan. L.A. acknowledges partial support by the NSF under Grant No. 1228509. The authors are grateful to Professor Gordon W. F. Drake (University of Windsor) for useful discussions. The authors are also grateful to the University of Arizona Recearch Computing and Nazarbayev University Library and IT Services for providing computational resources for this work. Publisher Copyright: {\textcopyright} 2018 American Physical Society.",

year = "2018",

month = jan,

day = "25",

doi = "10.1103/PhysRevA.97.012513",

language = "English (US)",

volume = "97",

journal = "Physical Review A",

issn = "2469-9926",

publisher = "American Physical Society",

number = "1",

}