B. Powell

activity

20032023

most citedTowards Quantum Chemistry on a Quantum Computer

804 citations · 2.7k across the 51 of their papers we have counts for

collaborators

Showing 2015Show all

3 papers · 1 filter

cond-mat.str-el2015★ 8 cited

When is the Kadowaki-Woods ratio universal?

D. C. Cavanagh, A. C. Jacko, B. J. Powell

We calculate the Kadowaki-Woods ratio (KWR) in Fermi liquids with arbitrary band structures. We find that, contrary to the single band case, the ratio is not generally independent…

physics.chem-ph2015★ 114 cited

Theories of phosphorescence in organo-transition metal complexes - from relativistic effects to simple models and design principles for organic light-emitting diodes

B. J. Powell

We review theories of phosphorescence in cyclometalated complexes. We focus primarily on pseudooctahedrally coordinated $t_{2 g}^{6}$ metals (e.g., [Os(II)(bpy) $_{3}$ ] $^{2 +}$ , Ir(III)(p…

cond-mat.str-el2015★ 19 cited

Emergence of quasi-one-dimensional physics in Mo $_{3}$ S $_{7}$ (dmit) $_{3}$ , a nearly-isotropic three-dimensional molecular crystal

A. C. Jacko, C. Janani, Klaus Koepernik +1

We report density functional theory calculations for Mo $_{3}$ S $_{7}$ (dmit) $_{3}$ . We derive an ab initio tight-binding model from overlaps of Wannier orbitals; finding a layered model wi…

When is the Kadowaki-Woods ratio universal?

Theories of phosphorescence in organo-transition metal complexes - from relativistic effects to simple models and design principles for organic light-emitting diodes

Emergence of quasi-one-dimensional physics in Mo3​S7​(dmit)3​, a nearly-isotropic three-dimensional molecular crystal

Emergence of quasi-one-dimensional physics in Mo $_{3}$ S $_{7}$ (dmit) $_{3}$ , a nearly-isotropic three-dimensional molecular crystal