Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Filters

Gerald Knizia

Showing results (1-10 of 36) with videos related to

Pageof 4
Sort By:
Journal of Chemical Theory and Computation|November 20, 2015
Intrinsic Atomic Orbitals: An Unbiased Bridge between Quantum Theory and Chemical ConceptsGerald Knizia
The Journal of Chemical Physics|June 24, 2020
Molecular integrals from Fast Fourier Transforms (FFT) instead of recurrences: The McMurchie-Davidson caseMieke Peels, Gerald Knizia
Journal of Chemical Theory and Computation|February 11, 2020
Fast Evaluation of Two-Center Integrals over Gaussian Charge Distributions and Gaussian Orbitals with General Interaction KernelsMieke Peels, Gerald Knizia
Journal of Chemical Theory and Computation|January 4, 2018
Efficient Treatment of Local Meta-generalized Gradient Density Functionals via Auxiliary Density Expansion: The Density Fitting J + X ApproximationAlyssa V Bienvenu, Gerald Knizia
The Journal of Chemical Physics|April 25, 2008
Explicitly correlated RMP2 for high-spin open-shell reference statesGerald Knizia, Hans-Joachim Werner
Journal of Chemical Theory and Computation|November 21, 2015
Density Matrix Embedding: A Strong-Coupling Quantum Embedding TheoryGerald Knizia, Garnet Kin-Lic Chan
Physical Review Letters|December 11, 2012
Density matrix embedding: a simple alternative to dynamical mean-field theoryGerald Knizia, Garnet Kin-Lic Chan
Angewandte Chemie (International Ed. in English)|July 19, 2018
cPCET versus HAT: A Direct Theoretical Method for Distinguishing X-H Bond-Activation MechanismsJohannes E M N Klein, Gerald Knizia
The Journal of Chemical Physics|December 10, 2017
Analytical energy gradients for explicitly correlated wave functions. I. Explicitly correlated second-order Møller-Plesset perturbation theoryWerner Győrffy, Gerald Knizia, Hans-Joachim Werner
The Journal of Physical Chemistry. A|March 23, 2019
Visualizing Complex-Valued Molecular OrbitalsRachael Al-Saadon, Toru Shiozaki, Gerald Knizia
Pageof 4

Showing results (1-10 of 36) with videos related to

Sort By:
Pageof 4
Journal of Chemical Theory and Computation|November 20, 2015
Intrinsic Atomic Orbitals: An Unbiased Bridge between Quantum Theory and Chemical ConceptsGerald Knizia
The Journal of Chemical Physics|June 24, 2020
Molecular integrals from Fast Fourier Transforms (FFT) instead of recurrences: The McMurchie-Davidson caseMieke Peels, Gerald Knizia
Journal of Chemical Theory and Computation|February 11, 2020
Fast Evaluation of Two-Center Integrals over Gaussian Charge Distributions and Gaussian Orbitals with General Interaction KernelsMieke Peels, Gerald Knizia
Journal of Chemical Theory and Computation|January 4, 2018
Efficient Treatment of Local Meta-generalized Gradient Density Functionals via Auxiliary Density Expansion: The Density Fitting J + X ApproximationAlyssa V Bienvenu, Gerald Knizia
The Journal of Chemical Physics|April 25, 2008
Explicitly correlated RMP2 for high-spin open-shell reference statesGerald Knizia, Hans-Joachim Werner
Journal of Chemical Theory and Computation|November 21, 2015
Density Matrix Embedding: A Strong-Coupling Quantum Embedding TheoryGerald Knizia, Garnet Kin-Lic Chan
Physical Review Letters|December 11, 2012
Density matrix embedding: a simple alternative to dynamical mean-field theoryGerald Knizia, Garnet Kin-Lic Chan
Angewandte Chemie (International Ed. in English)|July 19, 2018
cPCET versus HAT: A Direct Theoretical Method for Distinguishing X-H Bond-Activation MechanismsJohannes E M N Klein, Gerald Knizia
The Journal of Chemical Physics|December 10, 2017
Analytical energy gradients for explicitly correlated wave functions. I. Explicitly correlated second-order Møller-Plesset perturbation theoryWerner Győrffy, Gerald Knizia, Hans-Joachim Werner
The Journal of Physical Chemistry. A|March 23, 2019
Visualizing Complex-Valued Molecular OrbitalsRachael Al-Saadon, Toru Shiozaki, Gerald Knizia
Pageof 4