Automated Author Profile

García De La Vega, JoséM.

Current S-Index

2.4

Sum of Dataset Indices for all datasets

Average Dataset Index per Dataset

1.2

Average Dataset Index per dataset

Total Datasets

2

Total datasets for this author

Average FAIR Score

65.4%

Average FAIR Score per dataset

Total Citations

0

Total citations to the author's datasets

Total Mentions

0

Total mentions of the author's datasets

S-Index Interpretation

S-Index Over Time

Cumulative Citations Over Time

Cumulative Mentions Over Time

Datasets

Determination of momentum expectation values for polyatomic molecules

Abstract The MOEXVA program implements the recent formulation for the evaluation of momentum expectation values of diatomic molecules (J.M. Garcia de la Vega et al., J. Math. Chem. 21 (1993) 211), adapting this formulation to the general problem of polyatomic molecules. The program uses as input the molecular orbital output of any Hartree-Fock or Density-Functional-Theory molecular calculation for Cartesian or spherical Gaussian functions. the program performs an accurate determination of the orbital ... Title of program: MOEXVA Catalogue Id: ADHJ_v1_0 Nature of problem Determination of the powers of momentum expectation values for polyatomic molecules. Versions of this program held in the CPC repository in Mendeley Data ADHJ_v1_0; MOEXVA; 10.1016/S0010-4655(97)00134-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

Authors

  • García De La Vega, JoséM.
0 Citations0 Mentions65% FAIR1.6 Dataset Index
10.17632/p9zw6b735cDecember 2019

Determination of momentum expectation values for polyatomic molecules

Abstract The MOEXVA program implements the recent formulation for the evaluation of momentum expectation values of diatomic molecules (J.M. Garcia de la Vega et al., J. Math. Chem. 21 (1993) 211), adapting this formulation to the general problem of polyatomic molecules. The program uses as input the molecular orbital output of any Hartree-Fock or Density-Functional-Theory molecular calculation for Cartesian or spherical Gaussian functions. the program performs an accurate determination of the orbital ... Title of program: MOEXVA Catalogue Id: ADHJ_v1_0 Nature of problem Determination of the powers of momentum expectation values for polyatomic molecules. Versions of this program held in the CPC repository in Mendeley Data ADHJ_v1_0; MOEXVA; 10.1016/S0010-4655(97)00134-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

Authors

  • García De La Vega, JoséM.
0 Citations0 Mentions65% FAIR0.8 Dataset Index
10.17632/p9zw6b735c.1December 2019