AMBiT: A program for high-precision relativistic atomic structure calculations
arXiv:1805.11265 · doi:10.1016/j.cpc.2018.12.014
Abstract
We present the AMBiT software package for general atomic structure calculations. This software implements particle-hole configuration interaction with many-body perturbation theory (CI+MBPT) for fully relativistic calculations of atomic energy levels, electric- and magnetic-multipole transition matrix elements, g-factors and isotope shifts. New numerical methods and modern high-performance computing techniques employed by this software allow for the calculation of open-shell systems with many valence-electrons () to a high degree of accuracy and in a highly computationally efficient manner.
References in corpus (16)
- The radiative potential method for calculations of QED radiative corrections to energy levels and electromagnetic amplitudes in many-electron atoms
- Combining configuration interaction with perturbation theory for atoms with large number of valence electrons
- On the use of the approximation in atomic calculations
- Calculation of isotope shifts and relativistic shifts in CI, CII, CIII and CIV
- Atomic many-body effects and Lamb shifts in alkali metals
- Optical spectroscopy of complex open 4-shell ions Sn-Sn
- Application of the dual-kinetic-balance sets in the relativistic many-body problem of atomic structure
- QED radiative corrections and many-body effects in atoms: vacuum polarization and binding energy shifts in alkali metals
- Isotope shift calculations in Ti II
- Convergence of the partial wave expansion of the He ground state
- Particle-hole configuration interaction and many-body perturbation theory: application to Hg+
- Relativistic calculations of quasi-one-electron atoms and ions using Laguerre and Slater spinors
- Saturated configuration interaction calculations for five-valent Ta and Db
- Exponential increase of energy level density in atoms: Th and Th II
- Screening of oscillating external electric field in atoms
- Isotope shifts and relativistic shifts of Cr II for study of alpha-variation in quasar absorption spectra
Cited by in corpus (33)
- Evidence for Nonlinear Isotope Shift in Yb Search for New Boson
- Improved isotope-shift-based bounds on bosons beyond the Standard Model through measurements of the DD interval in Ca
- Generalized King linearity and new physics searches with isotope shifts
- Detection of the orbital crossing and its optical clock transition in Pr
- Search for a Variation of the Fine Structure around the Supermassive Black Hole in Our Galactic Center
- 4-component relativistic Hamiltonian with effective QED potentials for molecular calculations
- High Resolution Photoexcitation Measurements Exacerbate the Long-Standing Fe XVII Oscillator Strength Problem
- Probing new bosons and nuclear structure with ytterbium isotope shifts
- Nuclear charge radii of silicon isotopes
- New Measurement Resolves Key Astrophysical Fe XVII Oscillator Strength Problem
- High-precision ab initio calculations of the spectrum of Lr
- Isotope shifts in Ne -- Precision measurements and global analysis in the framework of intermediate coupling
- Hyperfine-structure-resolved laser spectroscopy of many-electron highly charged ions
- Ab initio calculations of the spectrum of lawrencium
- Isotope shifts for Yb lines from multi-configuration Dirac-Hartree-Fock calculations
- pCI: a parallel configuration interaction software package for high-precision atomic structure calculations
- electronic factors of the and hyperfine structure constants for the states in Sn I
- Atomic Bethe logarithm in the mean-field approximation
- Fast configuration-interaction calculations for nobelium and ytterbium
- Electronic structure of Rf^+ (Z = 104) from ab initio calculations
- Combination of the Perturbation Theory with Configuration Interaction Method
- Nuclear charge radii of germanium isotopes around = 40
- Isotope-shift analysis with the transition in ytterbium
- Relativistic atomic structure calculations in support of spectroscopy
- Basis set calculations of heavy atoms
- Atomic parity violation in highly charged Ca and Pb ions
- Many-body and QED effects in electron-atom inelastic scattering in EELS
- Long-lived metastable states in the 4f5d6s configuration of Yb
- High-Resolution Spectroscopy of Yb Ions
- Violation of the equivalence principle from light scalar fields: from Dark Matter candidates to scalarized black holes
- Evidence of Two-Source King Plot Nonlinearity in Spectroscopic Search for New Boson
- Ab initio calculations of the electronic structure of Ac
- Projectile excitation to the and autoionizing states in swift collisions of He-like carbon and oxygen mixed-state ion beams with helium