Electronic Structure Lab


Dr. Anna Krylov, Professor of Chemistry

Wanted Anna Krylov for practicing chemistry without a Gaussian license I like EOM-CC methods, open-shells, molecular orbitals and Hückel theory, spectroscopy, second quantization, size-extensive wave functions, C++ and EOM-CC. Why did I mention EOM-CC twice? Because I really like it!
Dr. Anna Krylov, Professor of Chemistry

Students and postdocs

Dr. Kadir Diri

Dr. Kadir Diri

Center for computational studies of electronic structure and spectroscopy of open-shell and electronically excited species

Evgeny Epifanovsky

Evgeny Epifanovsky

Conical intersections of potential surfaces

Excited states of DNA bases

Anna Golubeva

Anna Golubeva

Electronic structure methods for open shells, bond-breaking, and excited states

Lucasz Koziol

Lucasz Koziol

Excited states of vinylic hydrocarbon radicals

Photoelectron spectroscopy

Triradicals

Dr. Prashant Uday Manohar

Dr. Prashant Uday Manohar

Perturbative corrections to EOM-CC for excitation energies and spin-flip cases

Spin-adaptation

MRCC linear response methods

Vadim Mozhayskiy

Vadim Mozhayskiy

Jahn-Teller Effects

Anharmonic vibrational levels and photoelectron spectra of linear trinitrogen from wavepacket propagation

Topology of the complicated Jahn-Teller intersection in the cyclic trinitrogen cation

Dr. Melania Oana

Dr. Melania Oana

Dyson orbitals for ionization from the ground and electronically excited states in EOM-CCSD formalism

Photoionization spectroscopy

Complex photodissociation dynamics of the weakly bound covalent NO dimer

Triradicals

Piotr Adam Pieniazek

Piotr Adam Pieniazek  (pap@usc.edu)

Modeling of charge transfer reactions by EOM methods

Spectroscopy of radicals in condensed phase

Electronic structure methods for open shells, bond-breaking, and excited states

Vitalii Vanovschi

Vitalii Vanovschi

Effective fragment potentials

Radical anions and vibronic interactions

Spectroscopy of radicals in condensed phase

Group gallery

Former group members and visiting scholars

Tim Kowalczyk

Tim Kowalczyk

Electronic structure and spectroscopy of carbon trioxide

Eric Sundstrom (REU)

Eric Sundstrom (REU)

Electronic structure of the excited states of water clusters

Dr. Sergey V. Levchenko

Dr. Lyudmila V. Slipchenko

Dr. Tao Wang

Ariana Nussdorf (REU)

Ana-Maria Cristian

Kirill Koshelev

Prof. Richard Wheatley (UK)

Sanja Pudar (REU)

Christina Crecca (REU)

Prof. Pavel Jungwirth (Czech Republic)

Dr. Peter Itskowitz

Dr. Tatiana Pomerantseva

Victor Olkhovets

Arman Tasheneff