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1

Improved method for generating exchange-correlation potentials from electronic wave functions

Ospadov, Egor, Ryabinkin, Ilya G., Staroverov, Viktor N.

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.38 MB

english, 2017

2

Reduction of Electronic Wave Functions to Kohn-Sham Effective Potentials

Ryabinkin, Ilya G., Kohut, Sviataslau V., Staroverov, Viktor N.

Journal:

Physical Review Letters

Year:

2015

Language:

english

File:

PDF, 378 KB

english, 2015

3

Solution of the Schrödinger equation for two electrons in axially symmetric cavities

Ryabinkin, Ilya, Staroverov, Viktor

Journal:

Physical Review A

Year:

2010

Language:

english

File:

PDF, 422 KB

english, 2010

4

Response to “Comment on ‘Kohn–Sham exchange-correlation potentials from second-order reduced density matrices’” [J. Chem. Phys. 145, 037101 (2016)]

Ryabinkin, Ilya G., Kohut, Sviataslau V., Cuevas-Saavedra, Rogelio, Ayers, Paul W., Staroverov, Viktor N.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 352 KB

english, 2016

5

Geometric Phase Effects in Nonadiabatic Dynamics near Conical Intersections

Ryabinkin, Ilya G., Joubert-Doriol, Loïc, Izmaylov, Artur F.

Journal:

Accounts of Chemical Research

Year:

2017

Language:

english

File:

PDF, 3.42 MB

english, 2017

6

Relation between fermionic and qubit mean fields in the electronic structure problem

Ryabinkin, Ilya G., Genin, Scott N., Izmaylov, Artur F.

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 316 KB

english, 2018

7

When do we need to account for the geometric phase in excited state dynamics?

Ryabinkin, Ilya G., Joubert-Doriol, Loïc, Izmaylov, Artur F.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.69 MB

english, 2014

8

Exact relations between the electron density and external potential for systems of interacting and noninteracting electrons

Ryabinkin, Ilya G., Staroverov, Viktor N.

Journal:

International Journal of Quantum Chemistry

Year:

2013

Language:

english

File:

PDF, 204 KB

english, 2013

9

Geometric Phase Effects in Dynamics Near Conical Intersections: Symmetry Breaking and Spatial Localization

Ryabinkin, Ilya G., Izmaylov, Artur F.

Journal:

Physical Review Letters

Year:

2013

Language:

english

File:

PDF, 385 KB

english, 2013

10

The electronic structure and energetics of V[sup +]-benzene half-sandwiches of different multiplicities: Comparative multireference and single-reference theoretical study

Polestshuk, Pavel M., Dem’yanov, Piotr I., Ryabinkin, Ilya G.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 217 KB

english, 2008

11

Non-stochastic matrix Schrödinger equation for open systems

Joubert-Doriol, Loïc, Ryabinkin, Ilya G., Izmaylov, Artur F.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 586 KB

english, 2014

12

Accurate explicitly correlated wave functions for two electrons in a square

Ryabinkin, Ilya G., Staroverov, Viktor N.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 548 KB

english, 2011

13

Geometric phase effects in low-energy dynamics near conical intersections: A study of the multidimensional linear vibronic coupling model

Joubert-Doriol, Loïc, Ryabinkin, Ilya G., Izmaylov, Artur F.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.48 MB

english, 2013

14

Interelectron magnetic coupling in electrides with one-dimensional cavity-channel geometry

Ryabinkin, Ilya G., Staroverov, Viktor N.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 806 KB

english, 2011

15

Hierarchy of model Kohn–Sham potentials for orbital-dependent functionals: A practical alternative to the optimized effective potential method

Kohut, Sviataslau V., Ryabinkin, Ilya G., Staroverov, Viktor N.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 638 KB

english, 2014

16

Iterative Qubit Coupled Cluster Approach with Efficient Screening of Generators

Ryabinkin, Ilya G., Lang, Robert A., Genin, Scott N., Izmaylov, Artur F.

Journal:

Journal of Chemical Theory and Computation

Year:

2020

Language:

english

File:

PDF, 787 KB

english, 2020

17

Determination of Kohn–Sham effective potentials from electron densities using the differential virial theorem

Ryabinkin, Ilya G., Staroverov, Viktor N.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 388 KB

english, 2012

18

Erratum: “Average local ionization energy generalized to correlated wavefunctions” [J. Chem. Phys. 141, 084107 (2014)]

Ryabinkin, Ilya G., Staroverov, Viktor N.

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 353 KB

english, 2015

19

Average local ionization energy generalized to correlated wavefunctions

Ryabinkin, Ilya G., Staroverov, Viktor N.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.16 MB

english, 2014

20

Modified Slater exchange potential with correct uniform electron gas limit

Gaiduk, Alex P., Ryabinkin, Ilya G., Staroverov, Viktor N.

Journal:

Canadian Journal of Chemistry

Year:

2015

File:

PDF, 766 KB

2015

21

Two electrons in a cylindrical box: An exact configuration-interaction solution

Ryabinkin, Ilya G., Staroverov, Viktor N.

Journal:

Physical Review A

Year:

2010

Language:

english

File:

PDF, 564 KB

english, 2010

22

Shape-Dependent Interactions of Palladium Nanocrystals with Hydrogen

Klinkova, Anna, Cherepanov, Pavel V., Ryabinkin, Ilya G., Ho, Martin, Ashokkumar, Muthupandian, Izmaylov, Artur F., Andreeva, Daria V., Kumacheva, Eugenia

Journal:

Year:

2016

Language:

english

File:

PDF, 3.15 MB

english, 2016

23

Removal of Basis-Set Artifacts in Kohn–Sham Potentials Recovered from Electron Densities

Gaiduk, Alex P., Ryabinkin, Ilya G., Staroverov, Viktor N.

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 338 KB

english, 2013

24

Revising the measurement process in the variational quantum eigensolver: is it possible to reduce the number of separately measured operators?

Izmaylov, Artur F., Yen, Tzu-Ching, Ryabinkin, Ilya G.

Journal:

Chemical Science

Year:

2019

File:

PDF, 494 KB

2019

25

Why Do Mixed Quantum-Classical Methods Describe Short-Time Dynamics through Conical Intersections So Well? Analysis of Geometric Phase Effects

Gherib, Rami, Ryabinkin, Ilya G., Izmaylov, Artur F.

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 1.97 MB

english, 2015

26

Exact exchange-correlation potentials of singlet two-electron systems

Ryabinkin, Ilya G., Ospadov, Egor, Staroverov, Viktor N.

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 822 KB

english, 2017

27

Publisher’s Note: Accurate and Efficient Approximation to the Optimized Effective Potential for Exchange [Phys. Rev. Lett. 111 , 013001 (2013)]

Ryabinkin, Ilya G., Kananenka, Alexei A., Staroverov, Viktor N.

Journal:

Physical Review Letters

Year:

2013

Language:

english

File:

PDF, 83 KB

english, 2013

28

Mixed Quantum-Classical Dynamics Using Collective Electronic Variables: A Better Alternative to Electronic Friction Theories

Ryabinkin, Ilya G., Izmaylov, Artur F.

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 1.33 MB

english, 2017

29

Accurate and Efficient Approximation to the Optimized Effective Potential for Exchange

Ryabinkin, Ilya G., Kananenka, Alexei A., Staroverov, Viktor N.

Journal:

Physical Review Letters

Year:

2013

Language:

english

File:

PDF, 363 KB

english, 2013

30

Analysis of geometric phase effects in the quantum-classical Liouville formalism

Ryabinkin, Ilya G., Hsieh, Chang-Yu, Kapral, Raymond, Izmaylov, Artur F.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.18 MB

english, 2014

31

On the inclusion of the diagonal Born-Oppenheimer correction in surface hopping methods

Gherib, Rami, Ye, Liyuan, Ryabinkin, Ilya G., Izmaylov, Artur F.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.21 MB

english, 2016

32

Qubit coupled cluster method: A systematic approach to quantum chemistry on a quantum computer

Ryabinkin, Ilya G., Yen, Tzu-Cheng, Genin, Scott N., Izmaylov, Artur F.

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 504 KB

english, 2018

33

Efficient construction of exchange and correlation potentials by inverting the Kohn–Sham equations

Kananenka, Alexei A., Kohut, Sviataslau V., Gaiduk, Alex P., Ryabinkin, Ilya G., Staroverov, Viktor N.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 660 KB

english, 2013

34

Topologically Correct Quantum Nonadiabatic Formalism for On-the-Fly Dynamics

Joubert-Doriol, Loïc, Sivasubramanium, Janakan, Ryabinkin, Ilya G., Izmaylov, Artur F.

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 1.17 MB

english, 2017

35

Constrained variational quantum eigensolver: Quantum computer search engine in the Fock space

Ryabinkin, Ilya G., Genin, Scott N., Izmaylov, Artur F.

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 412 KB

english, 2018

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