Low valency in lanthanides: A theoretical study of NdF and LuF

A Neoteric Neodymium Model: Ground and Excited Electronic State Analysis of NdF2+

(2013) George Schoendorff et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Relativistic segmented contraction basis sets with core-valence correlation effects for atoms 57La through 71Lu: Sapporo-DK-nZP sets (n = D, T, Q)

(2012) Masahiro Sekiya et al.   THEORETICAL CHEMISTRY ACCOUNTS

Segmented contracted basis sets for atoms H through Xe: Sapporo-(DK)-nZP sets (n = D, T, Q)

(2012) Takeshi Noro et al.   THEORETICAL CHEMISTRY ACCOUNTS

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

(2010) M. Valiev et al.   COMPUTER PHYSICS COMMUNICATIONS

Electronic structures of lanthanide monofluorides in the ground state: Frozen-core Dirac-Fock-Roothaan calculations

(2009) Yuko Wasada-Tsutsui et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Recovering four-component solutions by the inverse transformation of the infinite-order two-component wave functions

(2009) Maria Barysz et al.   JOURNAL OF CHEMICAL PHYSICS