In a recent article [Phys. Rev. A 31, 2107 (1985)] Leasure and Balint-Kurti claim to give a more efficient algorithm than any previously available for determining matrix elements of the Hamiltonian in valence-bond calculations. Actually, an algorithm of no significant difference and the same efficiency has been available since 1972 and has been applied to valence-bond calculations
Author Institution: Department of Physics, The Ohio State UniversityMathematical complexities preclu...
This paper first comments on the surprisingly poor status that Quantum Chemistry has offered to the ...
Most of the Comment by Weinhold and Glendening (WG) (1) does not address the criticism of the natura...
In a recent article [Phys. Rev. A 31, 2107 (1985)] Leasure and Balint-Kurti claim to give a more eff...
We comment on the paper [Song et al., J. Comput. Chem. 2009, 30, 399]. and discuss the efficiency of...
Ozdogan (Int. J. Quantum Chem., 92 (2003) 419) published formulas for evaluating the multielectron m...
1 page, 1 figure, slightly longer than published versionInternational audienceIn a recent Letter [Ph...
First-principles electronic band structure calculations are essential for understanding periodic sys...
A previous paper by Starace showed that the length formula for the electric-dipole matrix element is...
Electron and charge transfers are part of many vital processes in nature and technology. Ab initio d...
In a recent study of the Ar-CF4 intermolecular interaction potential [Shen C-C, Chang R-Y. Accurate ...
The Chemical Hamiltonian Approach (CHA) method is applied to obtain Basis Set Superposition Error (B...
In a recent paper (Molec. Phys. 1991, 73, 1183), Bramley et al. analysed the physical and mathematic...
ABSTRACT: Quantum chemical methods for the calculation of molecular properties to chemical accuracy ...
This Comment identifies errors in the formalism/implementation reported in Ref. 1 and discusses some...
Author Institution: Department of Physics, The Ohio State UniversityMathematical complexities preclu...
This paper first comments on the surprisingly poor status that Quantum Chemistry has offered to the ...
Most of the Comment by Weinhold and Glendening (WG) (1) does not address the criticism of the natura...
In a recent article [Phys. Rev. A 31, 2107 (1985)] Leasure and Balint-Kurti claim to give a more eff...
We comment on the paper [Song et al., J. Comput. Chem. 2009, 30, 399]. and discuss the efficiency of...
Ozdogan (Int. J. Quantum Chem., 92 (2003) 419) published formulas for evaluating the multielectron m...
1 page, 1 figure, slightly longer than published versionInternational audienceIn a recent Letter [Ph...
First-principles electronic band structure calculations are essential for understanding periodic sys...
A previous paper by Starace showed that the length formula for the electric-dipole matrix element is...
Electron and charge transfers are part of many vital processes in nature and technology. Ab initio d...
In a recent study of the Ar-CF4 intermolecular interaction potential [Shen C-C, Chang R-Y. Accurate ...
The Chemical Hamiltonian Approach (CHA) method is applied to obtain Basis Set Superposition Error (B...
In a recent paper (Molec. Phys. 1991, 73, 1183), Bramley et al. analysed the physical and mathematic...
ABSTRACT: Quantum chemical methods for the calculation of molecular properties to chemical accuracy ...
This Comment identifies errors in the formalism/implementation reported in Ref. 1 and discusses some...
Author Institution: Department of Physics, The Ohio State UniversityMathematical complexities preclu...
This paper first comments on the surprisingly poor status that Quantum Chemistry has offered to the ...
Most of the Comment by Weinhold and Glendening (WG) (1) does not address the criticism of the natura...