Quantum-mechanical modeling of molecules beyond the Born-Oppenheimer approximation

  • Bubin, Sergiy (PI)
  • Hornyak, Istvan (Postdoctoral scholar (PhD degree holder))
  • Skrynyk, Oleg (Other Faculty/Researcher)
  • Batyrkhanov, Ayan (Master student/Bachelor degree holder)
  • Shomenov, Toreniyaz (Master student/Bachelor degree holder)

Project: Research project

Grant Program

Faculty Development Competitive Research Grant Program 2018-2020

Project Description

The few-body problem has always been of special significance in natural sciences, whether it is a classical problem in celestial mechanics or a more complicated quantum problem. A considerable portion of objects that are studied in quantum physics and chemistry are few-body systems. Such objects as atoms, molecules, nuclei, quantum dots, hadrons, etc. represent typical examples of those systems. Inability to solve the few-body problem for these systems with sufficient accuracy often represents a major limiting factor in scientific research.
StatusActive
Effective start/end date3/20/18 → 12/31/20
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Born-Oppenheimer approximation
celestial mechanics
molecules
hadrons
quantum dots
chemistry
physics
nuclei
atoms

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Regional HYSPLIT simulation of atmospheric transport and deposition of the Chernobyl 137Cs releases

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Lowest ten 1P Rydberg states of beryllium calculated with all-electron explicitly correlated Gaussian functions

Research output: Contribution to journal › Article

The 2S Rydberg series of the lithium atom. Calculations with all-electron explicitly correlated Gaussian functions

Research output: Contribution to journal › Article

Ground and excited S 1 states of the beryllium atom

Research output: Contribution to journal › Article

Leading relativistic corrections for atomic P states calculated with a finite-nuclear-mass approach and all-electron explicitly correlated Gaussian functions

Research output: Contribution to journal › Article

Implementation of explicitly correlated complex Gaussian functions in calculations of molecular rovibrational J=1 states without Born-Oppenheimer approximation

Research output: Contribution to journal › Article