Ideas of relativistic quantum chemistry

On the construction of Kramers paired double group symmetry functions

(2009) Daoling Peng et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Four-component relativistic theory for nuclear magnetic shielding: Magnetically balanced gauge-including atomic orbitals

(2009) Lan Cheng et al.   JOURNAL OF CHEMICAL PHYSICS

Exact two-component relativistic theory for nuclear magnetic resonance parameters

(2009) Qiming Sun et al.   JOURNAL OF CHEMICAL PHYSICS

Four-component relativistic theory for NMR parameters: Unified formulation and numerical assessment of different approaches

(2009) Lan Cheng et al.   JOURNAL OF CHEMICAL PHYSICS

Relativistic theory of nuclear magnetic resonance parameters in a Gaussian basis representation

(2009) Werner Kutzelnigg et al.   JOURNAL OF CHEMICAL PHYSICS

Exact two-component Hamiltonians revisited

(2009) Wenjian Liu et al.   JOURNAL OF CHEMICAL 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

Time-dependent relativistic density functional study of Yb and YbO

(2009) WenHua Xu et al.   Science in China. Series B, Chemistry

Matrix formulation of direct perturbation theory of relativistic effects in a kinetically balanced basis

(2008) Werner Kutzelnigg et al.   CHEMICAL PHYSICS

On the eigenfunctions of the Douglas–Kroll operator

(2008) Christoph van Wüllen   CHEMICAL PHYSICS

Excited states of ReO4-: A comprehensive time-dependent relativistic density functional theory study

(2008) Wenhua Xu et al.   CHEMICAL PHYSICS

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