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Your search keyword '"Ryabinkin, Ilya G."' showing total 175 results

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175 results on '"Ryabinkin, Ilya G."'

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1. Thawed Gaussian wave packet dynamics: a critical assessment of three propagation schemes

2. Thawed Gaussian wavepacket dynamics with $\Delta$-machine learned potentials

3. Efficient construction of involutory linear combinations of anti-commuting Pauli generators for large-scale iterative qubit coupled cluster calculations

4. On the Importance of Well-Defined Thermal Correlation Functions in Simulating Vibronic Spectra

5. Estimating Phosphorescent Emission Energies in Ir(III) Complexes using Large-Scale Quantum Computing Simulations

6. A posteriori corrections to the Iterative Qubit Coupled Cluster method to minimize the use of quantum resources in large-scale calculations

7. Unitary transformation of the electronic Hamiltonian with an exact quadratic truncation of the Baker-Campbell-Hausdorff expansion

8. Iterative Qubit Coupled Cluster approach with efficient screening of generators

9. Quantum chemistry on quantum annealers

10. Symmetry adaptation in quantum chemistry calculations on a quantum computer

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

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

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

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

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

18. Mixed quantum-classical dynamics using collective electronic variables: A better alternative to electronic friction theories

19. Topologically correct quantum nonadiabatic formalism for on-the-fly dynamics

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

21. Fast numerical evaluation of time-derivative nonadiabatic couplings for mixed quantum-classical methods

22. Reduction of Electronic Wavefunctions to Kohn-Sham Effective Potentials

23. Why do mixed quantum-classical methods describe short-time dynamics through conical intersections so well? Analysis of geometric phase effects

24. Non-stochastic matrix Schr\'odinger equation for open systems

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

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

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

28. Geometric phase effects in dynamics near conical intersections: Symmetry breaking and spatial localization

29. Accurate and efficient approximation to the optimized effective potential for exchange

32. Modified slater exchange potential with correct uniform electron gas limit

36. Exact exchange-correlation potentials of singlet two-electron systems.

38. Estimating Phosphorescent Emission Energies in IrIII Complexes Using Large‐Scale Quantum Computing Simulations**.

43. Average local ionization energy generalized to correlated wavefunctions.

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

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

48. Accurate explicitly correlated wave functions for two electrons in a square.

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

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