• 6906 Citations
  • 38 h-Index
1970 …2019

Research output per year

If you made any changes in Pure these will be visible here soon.

Research Output

2003

Interatomic exchange energy components

Mayer, I. & Hamza, A., Mar 15 2003, In : International Journal of Quantum Chemistry. 92, 2 SPEC., p. 174-180 7 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)

Physical analysis of the diatomic "chemical" energy components

Hamza, A. & Mayer, I., Mar 1 2003, In : Theoretical Chemistry Accounts. 109, 2, p. 91-98 8 p.

Research output: Contribution to journalArticle

14 Citations (Scopus)
2002

A posteriori corrections to multireference limited configuration interaction based on a Brillouin-Wigner perturbative analysis

Halsz, G. J., Vibk, Suhai, S. & Mayer, I., Sep 5 2002, In : International Journal of Quantum Chemistry. 89, 4, p. 198-207 10 p.

Research output: Contribution to journalConference article

3 Citations (Scopus)

On Löwdin's method of symmetric orthogonalization

Mayer, I., Oct 5 2002, In : International Journal of Quantum Chemistry. 90, 1, p. 63-65 3 p.

Research output: Contribution to journalArticle

51 Citations (Scopus)

Toward a BSSE-free description of strongly interacting systems

Halász, G. J., Vibók, A., Suhai, S. & Mayer, I., Sep 5 2002, In : International Journal of Quantum Chemistry. 89, 4, p. 190-197 8 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)
2001

Dissociative recombination of antiprotonic atomcules p̄He+ with positronium: Towards antihydrogen synthesis?

Sauge, S., Valiron, P. & Mayer, I., Feb 9 2001, In : Chemical Physics Letters. 334, 4-6, p. 330-336 7 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)
32 Citations (Scopus)

One- and two-center energy components in the atoms in molecules theory

Salvador, P., Duran, M. & Mayer, I., Jul 15 2001, In : Journal of Chemical Physics. 115, 3, p. 1153-1157 5 p.

Research output: Contribution to journalArticle

66 Citations (Scopus)

Overlap repulsion with Löwdin's pairing theorem

Hamza, A. & Mayer, I., Mar 15 2001, In : International Journal of Quantum Chemistry. 82, 2, p. 53-59 7 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)

Overlap repulsion with Löwdin's pairing theorem II. The leading term

Hamza, A. & Mayer, I., Mar 5 2001, In : International Journal of Quantum Chemistry. 82, 3, p. 105-112 8 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Predicting primary mass spectrometric cleavages: A 'quasi-Koopmans' ab initio approach

Mayer, I. & Gömöry, Á., Aug 31 2001, In : Chemical Physics Letters. 344, 5-6, p. 553-564 12 p.

Research output: Contribution to journalArticle

12 Citations (Scopus)

Role of secondary interactions in the conformational equilibrium of 2,6-diisopropylphenol

Bikádi, Z., Keresztury, G., Holly, S., Egyed, O., Mayer, I. & Simonyi, M., Apr 12 2001, In : Journal of Physical Chemistry A. 105, 14, p. 3471-3474 4 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)
7 Citations (Scopus)
2000

A chemical energy component analysis

Mayer, I., Dec 22 2000, In : Chemical Physics Letters. 332, 3-4, p. 381-388 8 p.

Research output: Contribution to journalArticle

61 Citations (Scopus)

BSSE-free SCF theories: A comment

Hamza, A., Vibók, Á., Halász, G. J. & Mayer, I., Apr 28 2000, In : Journal of Molecular Structure: THEOCHEM. 501-502, p. 427-434 8 p.

Research output: Contribution to journalArticle

32 Citations (Scopus)

Unitary perturbation theory: A generalization of two-by-two rotations

Mayer, I., Jun 2000, In : Theoretical Chemistry Accounts. 104, 2, p. 163-166 4 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)
1999
16 Citations (Scopus)
1998
15 Citations (Scopus)

Second order Møller-Plesset perturbation theory without basis set superposition error

Mayer, I. & Valiron, P., Dec 1 1998, In : Journal of Chemical Physics. 109, 9, p. 3360-3373 14 p.

Research output: Contribution to journalArticle

54 Citations (Scopus)

Some difficulties in computing BSSE-corrected potential surfaces of chemical reactions

Lendvay, G. & Mayer, I., Dec 4 1998, In : Chemical Physics Letters. 297, 5-6, p. 365-373 9 p.

Research output: Contribution to journalArticle

106 Citations (Scopus)
53 Citations (Scopus)

Wannier-type orbitals derived from Mulliken's population analysis

Mayer, I., Räther, G. & Suhai, S., Aug 21 1998, In : Chemical Physics Letters. 293, 1-2, p. 81-89 9 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)
1997

BSSE-free second-order intermolecular perturbation theory

Mayer, I. & Mayer, I., Oct 1 1997, In : Molecular Physics. 92, 3, p. 503-510 8 p.

Research output: Contribution to journalArticle

24 Citations (Scopus)

Hierarchy of counterpoise corrections for N-body clusters: Generalization of the Boys-Bernardi scheme

Valiron, P. & Mayer, I., Aug 22 1997, In : Chemical Physics Letters. 275, 1-2, p. 46-55 10 p.

Research output: Contribution to journalArticle

197 Citations (Scopus)

Investigation of some properties of multicenter bond indices

Ponec, R. & Mayer, I., Feb 27 1997, In : Journal of Physical Chemistry A. 101, 9, p. 1738-1741 4 p.

Research output: Contribution to journalArticle

108 Citations (Scopus)

Simple proof of the pairing theorem

Mayer, I., Jan 1 1997, In : International Journal of Quantum Chemistry. 63, 1, p. 31-33 3 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)

The chemical Hamiltonian approach for infinite chains

Mayer, I., Räther, G. & Suhai, S., May 16 1997, In : Chemical Physics Letters. 270, 1-2, p. 211-216 6 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)
1996
16 Citations (Scopus)

Atomic orbitals from molecular wave functions: the effective minimal basis

Mayer, I., Jan 1 1996, In : Journal of physical chemistry. 100, 15, p. 6249-6257 9 p.

Research output: Contribution to journalArticle

38 Citations (Scopus)

BSSE-free SCF algorithm for treating several weakly interacting systems

Halâsz, G., Vibök, L., Valiron, P. & Mayer, I., Jan 1 1996, In : Journal of physical chemistry. 100, 15, p. 6332-6335 4 p.

Research output: Contribution to journalArticle

25 Citations (Scopus)

On the Hylleraas functional for a non-Hermitian unperturbed Hamiltonian

Mayer, I., Oct 1 1996, In : Molecular Physics. 89, 2, p. 515-519 5 p.

Research output: Contribution to journalArticle

18 Citations (Scopus)

Orthogonal effective atomic orbitals in the topological theory of atoms

Mayer, I., Jan 1 1996, In : Canadian Journal of Chemistry. 74, 6, p. 939-942 4 p.

Research output: Contribution to journalArticle

13 Citations (Scopus)
1995

Deriving gradient formulae for SCF methods by using Brillouin-type theorems. Gradient in the HPHF method

Belén Ruiz, M. & Mayer, I., Apr 13 1995, In : Chemical Physics Letters. 236, 3, p. 217-228 12 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Non-orthogonal localized orbitals and orthogonal atomic hybrids derived from Mulliken's population analysis

Mayer, I., Aug 25 1995, In : Chemical Physics Letters. 242, 4-5, p. 499-506 8 p.

Research output: Contribution to journalArticle

32 Citations (Scopus)
1994

A full-CI investigation into the BSSE problem

Mayer, I., Vibók, Á. & Valiron, P., Jul 8 1994, In : Chemical Physics Letters. 224, 1-2, p. 166-174 9 p.

Research output: Contribution to journalArticle

38 Citations (Scopus)

Coupled perturbed Hartree-Fock equations. An alternative derivation and generalization to non-orthogonal orbitals

Paizs, B. & Mayer, I., Mar 25 1994, In : Chemical Physics Letters. 220, 1-2, p. 97-101 5 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)

Covalent bond orders and atomic valence indices in the topological theory of atoms in molecules

Ángyán, J. G., Loos, M. & Mayer, I., Jan 1 1994, In : Journal of physical chemistry. 98, 20, p. 5244-5248 5 p.

Research output: Contribution to journalArticle

261 Citations (Scopus)

Semiempirical quantum chemical method for predicting mass spectrometric fragmentations

Mayer, I. & Gömöry, A., Jan 1 1994, In : Journal of Molecular Structure. 311, p. 331-341 11 p.

Research output: Contribution to journalArticle

16 Citations (Scopus)

The chemical Hamiltonian approach in density functional theory

Kieninger, M., Suhai, S. & Mayer, I., Dec 9 1994, In : Chemical Physics Letters. 230, 6, p. 485-490 6 p.

Research output: Contribution to journalArticle

23 Citations (Scopus)
109 Citations (Scopus)
1993

Comparison of a posteriori and a priori BSSE correction schemes for SCF intermolecular energies

Valiron, P., Vibók, Á. & Mayer, I., Apr 1993, In : Journal of Computational Chemistry. 14, 4, p. 401-409 9 p.

Research output: Contribution to journalArticle

46 Citations (Scopus)

Some comments on the general Hartree-Fock method

Mayer, I. & Löwdin, P. O., 1993, In : Chemical Physics Letters. 202, 1-2, p. 1-6 6 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)
7 Citations (Scopus)
1992

Comment on: Exact perturbation treatment of the basis set superposition correction

Mayer, I., Jan 1 1992, In : The Journal of Chemical Physics. 97, 7, p. 5257-5258 2 p.

Research output: Contribution to journalComment/debate

Open Access
5 Citations (Scopus)

Hydration of cations: H-bond shortening as an electrostatic effect

Mayer, I., Lukovits, I. & Radnai, T., Jan 17 1992, In : Chemical Physics Letters. 188, 5-6, p. 595-598 4 p.

Research output: Contribution to journalArticle

14 Citations (Scopus)

Monomer geometry relaxation and the basis set superposition error

Mayer, I. & Surján, P. R., Apr 10 1992, In : Chemical Physics Letters. 191, 5, p. 497-499 3 p.

Research output: Contribution to journalArticle

104 Citations (Scopus)

Some Studies of the General Hartree-Fock Method

LöWdin, P. O. & Mayer, I., Jan 1 1992, In : Advances in Quantum Chemistry. 24, C, p. 79-114 36 p.

Research output: Contribution to journalArticle

38 Citations (Scopus)
15 Citations (Scopus)