Items where Author is "Jeszenszki, Péter"

Article

Jeszenszki, Péter and Hollósy, Péter and Margócsy, Ádám and Mátyus, Edit (2025) Spin-Dependent Terms of the Breit−Pauli Hamiltonian Evaluated with an Explicitly Correlated Gaussian Basis Set for Molecular Computations. ACS Physical Chemistry Au. (In Press)

Rácsai, Balázs and Jeszenszki, Péter and Margócsy, Ádám and Mátyus, Edit (2025) High-precision quantum dynamics of He2 over the b 3Πg–c electronic subspace by including non-adiabatic, relativistic, and QED corrections and couplings. THE JOURNAL OF CHEMICAL PHYSICS, 163. No. 081102. ISSN 0021-9606

Ferenc, Dávid and Jeszenszki, Péter and Mátyus, Edit (2022) On the Breit interaction in an explicitly correlated variational Dirac-Coulomb framework. JOURNAL OF CHEMICAL PHYSICS, 156 (8). ISSN 0021-9606

Jeszenszki, Péter and Ferenc, Dávid and Mátyus, Edit (2022) Variational Dirac-Coulomb explicitly correlated computations for atoms and molecules. JOURNAL OF CHEMICAL PHYSICS, 156 (8). ISSN 0021-9606

Ferenc, Dávid and Jeszenszki, Péter and Mátyus, Edit (2022) Variational versus perturbative relativistic energies for small and light atomic and molecular systems. JOURNAL OF CHEMICAL PHYSICS, 157. ISSN 0021-9606

Tóth, Zsuzsanna and Nagy, Péter R. and Jeszenszki, Péter and Szabados, Ágnes (2015) Novel orthogonalization and biorthogonalization algorithms - Towards multistate multiconfiguration perturbation theory. THEORETICAL CHEMISTRY ACCOUNTS, 134. p. 100. ISSN 1432-881X

Surján, Péter R. and Jeszenszki, Péter and Szabados, Ágnes (2015) Role of triplet states in geminal-based perturbation theory. Molecular Physics, 113 (19-20). pp. 2960-2963. ISSN 0026-8976, ESSN: 1362-3028

Jeszenszki, Péter and Surján, Péter R. and Szabados, Ágnes (2015) Spin symmetry and size consistency of strongly orthogonal geminals. J. Chem. Theory. Comput., 11. p. 3096.