Gerald Knizia
Pennsylvania State University(US)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Catalytic Alkyne Reactions, Organometallic Complex Synthesis and Catalysis, Catalytic C–H Functionalization Methods
Most-Cited Works
- → Molpro: a general‐purpose quantum chemistry program package(2011)3,756 cited
- → A simple and efficient CCSD(T)-F12 approximation(2007)1,966 cited
- → Simplified CCSD(T)-F12 methods: Theory and benchmarks(2009)1,960 cited
- → Intrinsic Atomic Orbitals: An Unbiased Bridge between Quantum Theory and Chemical Concepts(2013)1,124 cited
- → Density Matrix Embedding: A Simple Alternative to Dynamical Mean-Field Theory(2012)530 cited
- → Electron Flow in Reaction Mechanisms—Revealed from First Principles(2015)530 cited
- → Density Matrix Embedding: A Strong-Coupling Quantum Embedding Theory(2013)336 cited
- → A new internally contracted multi-reference configuration interaction method(2011)331 cited
- → Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets(2009)288 cited
- → Explicitly correlated RMP2 for high-spin open-shell reference states(2008)274 cited