Correlated electron pseudopotentials for 3d-transition metals

Study of Ne-core and He-core pseudopotential errors in the MnO molecule: Quantum Monte Carlo benchmark

(2013) Minyi Zhu et al.   CHEMICAL PHYSICS LETTERS

Pseudopotentials for correlated electron systems

(2013) J. R. Trail et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum Monte Carlo and Related Approaches

(2011) Brian M. Austin et al.   CHEMICAL REVIEWS

Relativistic Pseudopotentials: Their Development and Scope of Applications

(2011) Michael Dolg et al.   CHEMICAL REVIEWS

Multiconfiguration electron density function for the ATSP2K-package

(2009) A. Borgoo et al.   COMPUTER PHYSICS COMMUNICATIONS

Continuum variational and diffusion quantum Monte Carlo calculations

(2009) R J Needs et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Pressure-induced phase transition and elastic properties of TiO2polymorphs

(2009) X. G. Ma et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations

(2008) M. Burkatzki et al.   JOURNAL OF CHEMICAL PHYSICS