• 1273 Citations
  • 13 h-Index
1984 …2019
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Fingerprint Dive into the research topics where S. Kristyán is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

  • 4 Similar Profiles
Hydrogenolysis Chemical Compounds
Enthalpy Chemical Compounds
Ethane Chemical Compounds
Molecules Chemical Compounds
Atoms Chemical Compounds
chemical elements Physics & Astronomy
hydrogenolysis Physics & Astronomy
self consistent fields Physics & Astronomy

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Research Output 1984 2019

  • 1273 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., Jul 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: Chapter in Book/Report/Conference proceedingConference contribution

Open Access
functional integration
numerical integration
electrons
quantum chemistry
operators

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., Jul 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: Chapter in Book/Report/Conference proceedingConference contribution

Open Access
Newton-Raphson method
multipliers
Lagrange multipliers
determinants
orbits

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

Kristyán, S., Jul 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: Chapter in Book/Report/Conference proceedingConference contribution

Open Access
determinants
electronics
theorems
configuration interaction
constrictions