Peng‐Dong Fan

Method of moments of coupled-cluster equations: a new formalism for designing accurate electronic structure methods for ground and excited states

Piotr Piecuch, Karol Kowalski, Ian S. O. Pimienta et al. · Theoretical Chemistry Accounts · 2004 · 206 citations

Cluster Science, Localized Excited State, Engineering +13

On the Electronically Excited States of Uracil

Evgeny Epifanovsky, Karol Kowalski, Peng‐Dong Fan et al. · The Journal of Physical Chemistry A · 2008 · 129 citations

Automated derivation and parallel computer implementation of renormalized and active‐space coupled‐cluster methods

Piotr Piecuch, So Hirata, Karol Kowalski et al. · International Journal of Quantum Chemistry · 2005 · 58 citations

Numerical Analysis, Cluster Computing, New Codes +19

Non-iterative corrections to extended coupled-cluster energies employing the generalized method of moments of coupled-cluster equations

Peng‐Dong Fan, Karol Kowalski, Piotr Piecuch · Molecular Physics · 2005 · 56 citations

Numerical Analysis, Spectral Theory, Engineering +21

Large-scale parallel calculations with combined coupled cluster and molecular mechanics formalism: Excitation energies of zinc–porphyrin in aqueous solution

Peng‐Dong Fan, Marat Valiev, Karol Kowalski · Chemical Physics Letters · 2008 · 47 citations

Natural Sciences, Computational Chemistry, Molecular Mechanic +7