Complex two- and four-index transformation over two-component kramers-degenerate spinors

Optimized transformation of four center integrals

Geerd H. F. Diercksen · Theoretical Chemistry Accounts · 1974 · 111 citations

Natural Sciences, Mathematics, Optimization +3

Molecular spinors from the quasi-relativistic pseudopotential approach

P. Hafner, W. H. Eugen Schwarz · Chemical Physics Letters · 1979 · 95 citations

Natural Sciences, Chemistry, Physics +14

Integral transformations. A bottleneck in molecular quantum mechanical calculations

Charles F. Bender · Journal of Computational Physics · 1972 · 73 citations

Natural Sciences, Chemistry, Physics +11

Variational solution of the dirac equation within a multicentre basis set of gaussian functions

Franz Mark, Bans Lischka, Franz Rosicky · Chemical Physics Letters · 1980 · 63 citations

Natural Sciences, Physics, Quantum Mechanics +8

Ab initio relativistic self-consistent-field (RSCF) wavefunctions for the diatomics Li2 and Be2

Gulzari Malli, J. Oreg · Chemical Physics Letters · 1980 · 40 citations

Natural Sciences, Chemistry, Physics +14