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!

Students and postdocs

Dr. Ksenia Bravaya

Ionization of DNA base monomers and dimers studied by EOM-IP-CCSD methods

Dr. Kadir Diri

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

Evgeny Epifanovsky

Conical intersections of potential surfaces

Excited states of DNA bases

Dr. Debashree Ghosh

Effective fragment potentials (EFP)

Anna Golubeva

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

Dr. Eugene Kamarchik

Kirill Khistyaev

Ionization of DNA base monomers and dimers studied by EOM-IP-CCSD methods

Dr. Arik Landau

Development and benchmarking within the EOM-CC formalism: Frozen Natural Orbitals (FNO) for ionized systems

Dr. Liang Tao

Calculation of photoelectron cross sections, Dyson orbitals, angular distributions of photoelectrons

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

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

Group gallery

Former group members and visiting scholars

Stanislav Dolgikh

Modeling of charge transfer reactions by EOM methods

Thesis: Ab initio calculations of structure and ionization energies of the five guanine tautomers (15888 kB)

Dr. Prashant Uday Manohar

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

Spin-adaptation

MRCC linear response methods

Lucasz Koziol

Excited states of vinylic hydrocarbon radicals

Photoelectron spectroscopy

Triradicals

Thesis: Electronic Structure and Spectroscopy of Excited and Open-shell Species (76602 kB)

Dr. Vitalii Vanovschi

Effective fragment potentials

Radical anions and vibronic interactions

Spectroscopy of radicals in condensed phase

Thesis: Electronic Structure and Spectroscopy in the Gas and Condensed Phase: Methodology and Applications (5050 kB)

Dr. 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

Thesis: Electronic structure and spectroscopy of radicals in the gas and condensed phases (15888 kB)

Eric Sundstrom (REU)

Electronic structure of the excited states of water clusters

Tim Kowalczyk

Electronic structure and spectroscopy of carbon trioxide

Dr. Sergey V. Levchenko

Thesis: Equation-of-motion coupled cluster model with single and double substitutions: Theory and applications (1013 kB)

Dr. Lyudmila V. Slipchenko

Thesis: Electronic structure calculations of open-shell molecules (4393 kB)

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