Local unitary transformation method for large-scale two-component relativistic calculations. II. Extension to two-electron Coulomb interaction

Local relativistic exact decoupling

(2012) Daoling Peng et al.   JOURNAL OF CHEMICAL PHYSICS

Local unitary transformation method for large-scale two-component relativistic calculations: Case for a one-electron Dirac Hamiltonian

(2012) Junji Seino et al.   JOURNAL OF CHEMICAL PHYSICS

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

Exact decoupling of the relativistic Fock operator

(2012) Daoling Peng et al.   THEORETICAL CHEMISTRY ACCOUNTS

Relativistic Hamiltonians for Chemistry: A Primer

(2011) Trond Saue   CHEMPHYSCHEM

Comparison of restricted, unrestricted, inverse, and dual kinetic balances for four-component relativistic calculations

(2011) Qiming Sun et al.   THEORETICAL CHEMISTRY ACCOUNTS

Ideas of relativistic quantum chemistry

(2010) Wenjian Liu   MOLECULAR PHYSICS

An arbitrary order Douglas–Kroll method with polynomial cost

(2009) Daoling Peng et al.   JOURNAL OF CHEMICAL PHYSICS

The molecular mean-field approach for correlated relativistic calculations

(2009) Jetze Sikkema et al.   JOURNAL OF CHEMICAL PHYSICS

Examination of accuracy of electron–electron Coulomb interactions in two-component relativistic methods

(2008) Junji Seino et al.   CHEMICAL PHYSICS LETTERS

A fully relativistic method for calculation of nuclear magnetic shielding tensors with a restricted magnetically balanced basis in the framework of the matrix Dirac–Kohn–Sham equation

(2008) Stanislav Komorovský et al.   JOURNAL OF CHEMICAL PHYSICS