Applications of NHQM to study atomic & molecular autoionization

  • MoiseyevN., Certain, P., & Weinhold, F. (1978). Complex-coordinate studies of Helium autoionizing resonances. Int. J. Quantum Chem.14(6), 727–736. doi: View Article

 

  • Froelich, P., & MoiseyevN. (1984). Resonances by the complex coordinate method with Hermitian hamiltonian (III) autoionization. J. Chem. Phys.81(3), 1352–1354. doi: View Article

 

  • Zdanska, P., & MoiseyevN. (2005). Hartree-fock orbitals for complex-scaled configuration interaction calculation of highly excited feshbach resonances. J. Chem. Phys.123(19). doi: View Article

 

OPEN THE FIELD OF CALCULATING COMPLEX RESONANCES FROM STANDARD – HERMITIAN QUANTUM CHEMISTRY PACKAGES:

  • Landau, A., Haritan, I., Kapralova-zd’anska, P. R., & MoiseyevN. (2016). Atomic and molecular complex resonances from real eigenvalues using standard (hermitian) electronic structure calculations. J. Phys. Chem. A120(19), 3098–3108. doi: View Article   

 

  • Bhattacharya, D., Ben-asher, A., Haritan, I., Pawlak, M., Landau, A., & MoiseyevN. (2017). Polyatomic ab initio complex potential energy surfaces: Illustration of ultracold collisions. J. Chem. Theory Comput.13(4), 1682–1690. doi: View Article
  • Ben-asher, A., Landau, A., & MoiseyevN. (2021). Uniform vs partial scaling within resonances via pade based on the similarities to other non-hermitian methods: Illustration for the beryllium 1s(2)2p3s state. J. Chem. Theory Comput.17(6), 3435–3444. doi: View Article