Anna I Krylov

发表

Double Precision Is Not Needed for Many-Body Calculations: Emergent Conventional Wisdom.

Evgeny Epifanovsky, Pavel Pokhilko, Anna I Krylov, 2018, Journal of chemical theory and computation.

A General Sparse Tensor Framework for Electronic Structure Theory.

Evgeny Epifanovsky, Anna I Krylov, Martin Head-Gordon, 2017, Journal of chemical theory and computation.

What Is the Price of Open-Source Software?

Peter Pulay, John M Herbert, Frederick R Manby, 2015, The journal of physical chemistry letters.

Ionization of dimethyluracil dimers leads to facile proton transfer in the absence of hydrogen bonds.

Anna I Krylov, Amir Golan, Oleg Kostko, 2012, Nature chemistry.

A Fresh Look at Resonances and Complex Absorbing Potentials: Density Matrix-Based Approach.

Evgeny Epifanovsky, Anna I Krylov, Thomas-C Jagau, 2014, The journal of physical chemistry letters.

General implementation of the resolution-of-the-identity and Cholesky representations of electron repulsion integrals within coupled-cluster and equation-of-motion methods: theory and benchmarks.

Evgeny Epifanovsky, Yihan Shao, Anna I Krylov, 2013, The Journal of chemical physics.

Charge localization and Jahn-Teller distortions in the benzene dimer cation.

Anna I Krylov, P. Pieniazek, A. Krylov, 2008, The Journal of chemical physics.

Triple-Decker Motif for Red-Shifted Fluorescent Protein Mutants.

Anna I Krylov, Alexander V Nemukhin, I. Polyakov, 2013, The journal of physical chemistry letters.

Dyson orbitals for ionization from the ground and electronically excited states within equation-of-motion coupled-cluster formalism: theory, implementation, and examples.

Anna I Krylov, A. Krylov, C Melania Oana, 2007, The Journal of chemical physics.

First-principles characterization of the energy landscape and optical spectra of green fluorescent protein along the A→I→B proton transfer route.

Anna I Krylov, Alexander V Nemukhin, I. Polyakov, 2013, Journal of the American Chemical Society.

On the Nature of an Extended Stokes Shift in the mPlum Fluorescent Protein.

Anna I Krylov, Shirin Faraji, A. Krylov, 2015, The journal of physical chemistry. B.

Effect of solvation on the vertical ionization energy of thymine: from microhydration to bulk.

Olexandr Isayev, Debashree Ghosh, Anna I Krylov, 2011, The journal of physical chemistry. A.

Equation-of-motion spin-flip coupled-cluster model with single and double substitutions: Theory and application to cyclobutadiene.

Anna I Krylov, S. Levchenko, A. Krylov, 2004, The Journal of chemical physics.

Photoinduced Chemistry in Fluorescent Proteins: Curse or Blessing?

Konstantin A Lukyanov, Anna I Krylov, Alexander V Nemukhin, 2017, Chemical reviews.

The effect of substituents on electronic states' ordering in meta-xylylene diradicals: qualitative insights from quantitative studies.

Anna I Krylov, Tao Wang, Tao Wang, 2005, Journal of Chemical Physics.

Insight into the common mechanism of the chromophore formation in the red fluorescent proteins: the elusive blue intermediate revealed.

Anna I Krylov, Vladislav V Verkhusha, V. Verkhusha, 2012, Journal of the American Chemical Society.

General formulation of spin-flip time-dependent density functional theory using non-collinear kernels: theory, implementation, and benchmarks.

Yihan Shao, Anna I Krylov, Yves A. Bernard, 2012, The Journal of chemical physics.

Quantum chemistry behind bioimaging: insights from ab initio studies of fluorescent proteins and their chromophores.

Anna I Krylov, Alexander V Nemukhin, A. Krylov, 2012, Accounts of chemical research.

Extension of the Effective Fragment Potential Method to Macromolecules.

Debashree Ghosh, Yihan Shao, Anna I Krylov, 2016, The journal of physical chemistry. B.

Distinct Electron Conductance Regimes in Bacterial Decaheme Cytochromes.

Anna I Krylov, Mohamed Y El-Naggar, A. Krylov, 2018, Angewandte Chemie.

Quantum Chemical Benchmark Studies of the Electronic Properties of the Green Fluorescent Protein Chromophore: 2. Cis-Trans Isomerization in Water.

Evgeny Epifanovsky, Anna I Krylov, I. Polyakov, 2009, Journal of chemical theory and computation.

Frozen natural orbitals for ionized states within equation-of-motion coupled-cluster formalism.

Anna I Krylov, Kirill Khistyaev, A. Krylov, 2010, The Journal of chemical physics.

A new electronic structure method for doublet states: configuration interaction in the space of ionized 1h and 2h1p determinants.

Anna I Krylov, P. Pieniazek, A. Krylov, 2009, The Journal of chemical physics.

A noniterative perturbative triples correction for the spin-flipping and spin-conserving equation-of-motion coupled-cluster methods with single and double substitutions.

Anna I Krylov, A. Krylov, Prashant Manohar, 2008, The Journal of chemical physics.

What we can learn from the norms of one-particle density matrices, and what we can't: some results for interstate properties in model singlet fission systems.

Anna I Krylov, Xintian Feng, A. Krylov, 2014, The journal of physical chemistry. A.

Beyond vinyl: electronic structure of unsaturated propen-1-yl, propen-2-yl, 1-buten-2-yl, and trans-2-buten-2-yl hydrocarbon radicals.

Anna I Krylov, Lucas Koziol, S. Levchenko, 2006, The journal of physical chemistry. A.

New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States.

Evgeny Epifanovsky, Anna I Krylov, Sonia Coriani, 2018, Journal of chemical theory and computation.

Double spin-flip approach within equation-of-motion coupled cluster and configuration interaction formalisms: Theory, implementation, and examples.

Anna I Krylov, David Casanova, Martin Head-Gordon, 2009, The Journal of chemical physics.

Extending Quantum Chemistry of Bound States to Electronic Resonances.

Anna I Krylov, Thomas-C Jagau, A. Krylov, 2017, Annual review of physical chemistry.

Quantum Chemical Benchmark Studies of the Electronic Properties of the Green Fluorescent Protein Chromophore. 1. Electronically Excited and Ionized States of the Anionic Chromophore in the Gas Phase.

Evgeny Epifanovsky, Anna I Krylov, I. Polyakov, 2009, Journal of chemical theory and computation.

Noncovalent interactions in extended systems described by the effective fragment potential method: theory and application to nucleobase oligomers.

Michael W. Schmidt, Debashree Ghosh, John M Herbert, 2010, The journal of physical chemistry. A.

Complex absorbing potentials within EOM-CC family of methods: theory, implementation, and benchmarks.

Evgeny Epifanovsky, Yihan Shao, Anna I Krylov, 2014, The Journal of chemical physics.

Perturbative triples correction for the equation-of-motion coupled-cluster wave functions with single and double substitutions for ionized states: Theory, implementation, and examples.

Anna I Krylov, John F Stanton, J. Stanton, 2009, The Journal of chemical physics.

Analytic gradients for the spin-conserving and spin-flipping equation-of-motion coupled-cluster models with single and double substitutions.

Anna I Krylov, Tao Wang, Tao Wang, 2005, The Journal of chemical physics.

Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection.

Roland Lindh, Celestino Angeli, Anna I Krylov, 2014, Journal of chemical theory and computation.

Spin-conserving and spin-flipping equation-of-motion coupled-cluster method with triple excitations.

Anna I Krylov, L. Slipchenko, A. Krylov, 2005, The Journal of chemical physics.

Four Bases Score a Run: Ab Initio Calculations Quantify a Cooperative Effect of H-Bonding and π-Stacking on the Ionization Energy of Adenine in the AATT Tetramer.

Evgeny Epifanovsky, Anna I Krylov, A. Krylov, 2012, The journal of physical chemistry letters.

Using the charge-stabilization technique in the double ionization potential equation-of-motion calculations with dianion references.

Anna I Krylov, Tomasz Kuś, A. Krylov, 2011, The Journal of chemical physics.

Conical Intersection and Potential Energy Surface Features of a Model Retinal Chromophore: Comparison of EOM-CC and Multireference Methods.

Anna I Krylov, Massimo Olivucci, A. Krylov, 2013, Journal of chemical theory and computation.

Spin-flip equation-of-motion coupled-cluster electronic structure method for a description of excited states, bond breaking, diradicals, and triradicals.

Anna I Krylov, A. Krylov, 2006, Accounts of chemical research.

Equation-of-motion coupled-cluster methods for open-shell and electronically excited species: the Hitchhiker's guide to Fock space.

Anna I Krylov, A. Krylov, 2008, Annual review of physical chemistry.