[Highlights in Theoretical Chemistry] Péter R. Surján Volume 12 || Novel orthogonalization and biorthogonalization algorithmsSzabados, Ágnes; Kállay, Mihály; Szalay, Péter G. · 2016

Preface to the special collection of theoretical chemistry accounts in honour of Péter R. SurjánSzabados, Ágnes; Kállay, Mihály; Szalay, Péter G. · Theoretical Chemistry Accounts · 2016

[Highlights in Theoretical Chemistry] Péter R. Surján Volume 12 || Hermitian “chemical” Hamiltonian: an alternative ab initio methodSzabados, Ágnes; Kállay, Mihály; Szalay, Péter G. · 2016

[Highlights in Theoretical Chemistry] Péter R. Surján Volume 12 || A second-order multi-reference quasiparticle-based perturbation theorySzabados, Ágnes; Kállay, Mihály; Szalay, Péter G. · 2016

[Highlights in Theoretical Chemistry] Péter R. Surján Volume 12 || Structural and spectral properties of tartrato complexes of vanadium(V) from quantum chemical calculationsSzabados, Ágnes; Kállay, Mihály; Szalay, Péter G. · 2016

[Highlights in Theoretical Chemistry] Péter R. Surján Volume 12 || Internal coordinates and orthogonality: features of the pseudoinverse of the Eliashevich–Wilsonian B-matrixSzabados, Ágnes; Kállay, Mihály; Szalay, Péter G. · 2016

[Highlights in Theoretical Chemistry] Péter R. Surján Volume 12 || Orthogonality-constrained Hartree–Fock and perturbation theory for high-spin open-shell excited statesSzabados, Ágnes; Kállay, Mihály; Szalay, Péter G. · 2016