• 1286 Citations
  • 13 h-Index
1984 …2019

Research output per year

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Research Output

  • 1286 Citations
  • 13 h-Index
  • 49 Article
  • 6 Conference contribution

Numerical evaluation of Coulomb integrals for 1, 2 and 3-electron distance operators, RC1-Nrd1-M, RC1-Nr12-M and R12-Nr13-M with real (N, M) and the Descartes product of 3 dimension common density functional numerical integration scheme

Kristyán, S., júl. 24 2019, International Conference on Numerical Analysis and Applied Mathematics, ICNAAM 2018. Simos, T. E., Simos, T. E., Simos, T. E., Simos, T. E., Tsitouras, C. & Simos, T. E. (eds.). American Institute of Physics Inc., 450029. (AIP Conference Proceedings; vol. 2116).

Research output: Conference contribution

Open Access
  • Optimizing single Slater determinant for electronic Hamiltonian with Lagrange multipliers and Newton-Raphson methods as an alternative to ground state calculations via Hartree-Fock self consistent field

    Kristyán, S., júl. 24 2019, International Conference on Numerical Analysis and Applied Mathematics, ICNAAM 2018. Simos, T. E., Simos, T. E., Simos, T. E., Simos, T. E., Tsitouras, C. & Simos, T. E. (eds.). American Institute of Physics Inc., 450030. (AIP Conference Proceedings; vol. 2116).

    Research output: Conference contribution

    Open Access
  • Single determinant basis set for the non-relativistic electronic Schrödinger equation using the coupling strength parameter generalized Brillouin theorem

    Kristyán, S., júl. 24 2019, International Conference on Numerical Analysis and Applied Mathematics, ICNAAM 2018. Simos, T. E., Simos, T. E., Simos, T. E., Simos, T. E., Tsitouras, C. & Simos, T. E. (eds.). American Institute of Physics Inc., 450061. (AIP Conference Proceedings; vol. 2116).

    Research output: Conference contribution

    Open Access