Her primary areas of investigation include Atomic physics, Coupled cluster, Excited state, Wave function and Quantum mechanics. Her Atomic physics study combines topics in areas such as Electronic structure, Excitation and Ionization. Anna I. Krylov has included themes like Computer program, Ab initio quantum chemistry methods and Density functional theory in her Electronic structure study.
Her research in Coupled cluster intersects with topics in Molecular orbital theory, Atomic orbital, Hamiltonian and Equations of motion. Anna I. Krylov combines subjects such as Potential energy, Potential energy surface and Chromophore with her study of Excited state. Her work on Full configuration interaction as part of general Quantum mechanics study is frequently linked to Spin-flip, bridging the gap between disciplines.
Her primary areas of study are Atomic physics, Electronic structure, Excited state, Coupled cluster and Wave function. Her Atomic physics research incorporates elements of Ion, Ionization, Ionization energy and Excitation. Her work carried out in the field of Electronic structure brings together such families of science as Ab initio quantum chemistry methods, Crystallography, Molecular physics, Dimer and Photochemistry.
The study incorporates disciplines such as Valence, Rydberg formula, Chromophore and Ground state in addition to Excited state. Her research in Coupled cluster focuses on subjects like Atomic orbital, which are connected to Molecular orbital. Her Wave function study is related to the wider topic of Quantum mechanics.
Anna I. Krylov mainly investigates Electronic structure, Wave function, Molecular physics, Coupled cluster and Quantum mechanics. Her biological study spans a wide range of topics, including Ion, Dipole, Quantum information science and Metastability. Her Wave function research includes themes of Matrix, Theoretical physics, Electron, Atomic orbital and Observable.
Her Electron research is multidisciplinary, incorporating elements of Carbon, Ionization energy and Atomic physics. Anna I. Krylov usually deals with Coupled cluster and limits it to topics linked to Equations of motion and Statistical physics and Excited state. In general Quantum mechanics study, her work on Fock space, Scattering and Molecular spectroscopy often relates to the realm of Continuum, thereby connecting several areas of interest.
The scientist’s investigation covers issues in Wave function, Coupled cluster, Atomic orbital, Molecular physics and Ionization. Her Wave function research includes elements of Matrix, Density functional theory and Observable. Her work is dedicated to discovering how Coupled cluster, Equations of motion are connected with Excited state and Statistical physics and other disciplines.
Excited state is a subfield of Atomic physics that Anna I. Krylov investigates. In her study, Theoretical physics, Expression, Ab initio quantum chemistry methods and Electronic density is strongly linked to Molecular orbital, which falls under the umbrella field of Atomic orbital. Her study in Ionization is interdisciplinary in nature, drawing from both Valence and Femtosecond.
This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.
Advances in methods and algorithms in a modern quantum chemistry program package
Yihan Shao;Laszlo Fusti Molnar;Yousung Jung;Jörg Kussmann.
Physical Chemistry Chemical Physics (2006)
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Yihan Shao;Zhengting Gan;Evgeny Epifanovsky;Andrew T. B. Gilbert.
Molecular Physics (2015)
Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space
Anna I. Krylov.
Annual Review of Physical Chemistry (2008)
Q-Chem 2.0: a high-performance ab initio electronic structure program package
Jing Kong;Christopher A. White;Christopher A. White;Anna I. Krylov;Anna I. Krylov;David Sherrill;David Sherrill.
Journal of Computational Chemistry (2000)
The spin–flip approach within time-dependent density functional theory: Theory and applications to diradicals
Yihan Shao;Martin Head-Gordon;Anna I. Krylov.
Journal of Chemical Physics (2003)
Size-consistent wave functions for bond-breaking: the equation-of-motion spin-flip model
Anna I. Krylov.
Chemical Physics Letters (2001)
Maps of subsurface hydrogen from the high energy neutron detector, Mars Odyssey.
I. Mitrofanov;D. Anfimov;A. Kozyrev;M. Litvak.
Singlet-triplet gaps in diradicals by the spin-flip approach: A benchmark study
Lyudmila V. Slipchenko;Anna I. Krylov.
Journal of Chemical Physics (2002)
Energies and analytic gradients for a coupled-cluster doubles model using variational Brueckner orbitals: Application to symmetry breaking in O4+
C. David Sherrill;Anna I. Krylov;Edward F. C. Byrd;Martin Head-Gordon.
Journal of Chemical Physics (1998)
Q-Chem: an engine for innovation
Anna I. Krylov;Peter M.W. Gill.
Wiley Interdisciplinary Reviews: Computational Molecular Science (2013)
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