ProfessorsProfessors of Penn State UniversityGerald Knizia

Gerald Knizia

Penn State University

H-index: 36

North America-United States

About Gerald Knizia

Gerald Knizia, With an exceptional h-index of 36 and a recent h-index of 30 (since 2020), a distinguished researcher at Penn State University, specializes in the field of Electronic Structure Theory, Quantum Chemistry, Chemical Concepts and Reactivity.

His recent articles reflect a diverse array of research interests and contributions to the field:

Feasibility of a Novel Density Functional Method Outside the Kohn-Sham Framework for Modeling Global Potential Energy Surfaces of Molecular Chemical Reactions

Generalization of intrinsic orbitals to Kramers-paired quaternion spinors, molecular fragments, and valence virtual spinors

Regional embedding enables high-level quantum chemistry for surface science

Molecular integrals from Fast Fourier Transforms (FFT) instead of recurrences: The McMurchie–Davidson case

Fast evaluation of two-center integrals over Gaussian charge distributions and Gaussian orbitals with general interaction kernels

Gerald Knizia Information

University	Penn State University
Position	Assistant Professor
Citations(all)	15439
Citations(since 2020)	7454
Cited By	10921
hIndex(all)	36
hIndex(since 2020)	30
i10Index(all)	49
i10Index(since 2020)	47
Email	Access Email
University Profile Page	Penn State University
Google Scholar	View Google Scholar Profile

Gerald Knizia Skills & Research Interests

Electronic Structure Theory

Quantum Chemistry

Chemical Concepts and Reactivity

Top articles of Gerald Knizia

Title	Journal	Author(s)	Publication Date
Feasibility of a Novel Density Functional Method Outside the Kohn-Sham Framework for Modeling Global Potential Energy Surfaces of Molecular Chemical Reactions		Gerald Knizia	2023/7/5
Generalization of intrinsic orbitals to Kramers-paired quaternion spinors, molecular fragments, and valence virtual spinors	Journal of chemical theory and computation	Bruno Senjean Souloke Sen Michal Repisky Gerald Knizia Lucas Visscher	2021/2/8
Regional embedding enables high-level quantum chemistry for surface science	The Journal of Physical Chemistry Letters	Bryan TG Lau Gerald Knizia Timothy C Berkelbach	2021/1/21
Molecular integrals from Fast Fourier Transforms (FFT) instead of recurrences: The McMurchie–Davidson case	The Journal of Chemical Physics	Mieke Peels Gerald Knizia	2020/6/21
Fast evaluation of two-center integrals over Gaussian charge distributions and Gaussian orbitals with general interaction kernels	Journal of chemical theory and computation	Mieke Peels Gerald Knizia	2020/2/10