Hermitian “chemical” Hamiltonian: an alternative ab initio method

[1]  I. Mayer.  Improved definition of bond orders for correlated wave functions , 2012 .

[2]  I. Mayer.  Improved chemical energy component analysis. , 2012, Physical chemistry chemical physics : PCCP.

[3]  I. Mayer,et al.  Bond order and valence indices: A personal account , 2007, J. Comput. Chem..

[4]  I. Mayer.  Energy partitioning schemes: a dilemma. , 2007, Faraday discussions.

[5]  I. Mayer,et al.  Energy partitioning schemes. , 2006, Physical chemistry chemical physics : PCCP.

[6]  I. Mayer,et al.  A general efficient implementation of the BSSE‐free SCF and MP2 methods based on the chemical Hamiltonian approach , 2006, J. Comput. Chem..

[7]  I. Mayer,et al.  Physical analysis of the diatomic “chemical” energy components , 2003 .

[8]  István Mayer,et al.  A chemical energy component analysis , 2000 .

[9]  István Mayer,et al.  THE CHEMICAL HAMILTONIAN APPROACH FOR TREATING THE BSSE PROBLEM OF INTERMOLECULAR INTERACTIONS , 1998 .

[10]  Feliu Maseras,et al.  IMOMM: A new integrated ab initio + molecular mechanics geometry optimization scheme of equilibrium structures and transition states , 1995, J. Comput. Chem..

[11]  P. Surján.  Second quantized approach to quantum chemistry , 1989 .

[12]  István Mayer,et al.  Charge, bond order and valence in the AB initio SCF theory , 1983 .

[13]  István Mayer,et al.  Towards a “Chemical” Hamiltonian , 1983 .

[14]  F. Sauter,et al.  Quantum Theory of Atoms, Molecules and the Solid State , 1968 .

[15]  Klaus Rüdenberg,et al.  On the Three‐ and Four‐Center Integrals in Molecular Quantum Mechanics , 1951 .