Determination of momentum expectation values for polyatomic molecules
| Main Author: | CPC, Mendeley |
|---|---|
| Other Authors: | García de la Vega, JoséM., Miguel, Beatriz |
| Format: | Dataset |
| Terbitan: |
Mendeley
, 1998
|
| Subjects: | |
| Online Access: |
https:/data.mendeley.com/datasets/p9zw6b735c |
| ctrlnum |
0.17632-p9zw6b735c.1 |
|---|---|
| fullrecord |
<?xml version="1.0"?>
<dc><creator>CPC, Mendeley</creator><title>Determination of momentum expectation values for polyatomic molecules </title><publisher>Mendeley</publisher><description>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)</description><subject>Physical Chemistry</subject><subject>Molecular Physics</subject><subject>Computational Physics</subject><contributor>García de la Vega, JoséM.</contributor><contributor>Miguel, Beatriz</contributor><type>Other:Dataset</type><identifier>10.17632/p9zw6b735c.1</identifier><rights>Computer Physics Communications Journal Licence</rights><rights>https://www.elsevier.com/about/policies/open-access-licenses/elsevier-user-license/cpc-license/</rights><relation>https:/data.mendeley.com/datasets/p9zw6b735c</relation><date>1998-01-01T12:00:00Z</date><recordID>0.17632-p9zw6b735c.1</recordID></dc>
|
| format |
Other:Dataset Other |
| author |
CPC, Mendeley |
| author2 |
García de la Vega, JoséM. Miguel, Beatriz |
| title |
Determination of momentum expectation values for polyatomic molecules |
| publisher |
Mendeley |
| publishDate |
1998 |
| topic |
Physical Chemistry Molecular Physics Computational Physics |
| url |
https:/data.mendeley.com/datasets/p9zw6b735c |
| contents |
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) |
| id |
IOS7969.0.17632-p9zw6b735c.1 |
| institution |
Universitas Islam Indragiri |
| affiliation |
onesearch.perpusnas.go.id |
| institution_id |
804 |
| institution_type |
library:university library |
| library |
Teknologi Pangan UNISI |
| library_id |
2816 |
| collection |
Artikel mulono |
| repository_id |
7969 |
| city |
INDRAGIRI HILIR |
| province |
RIAU |
| shared_to_ipusnas_str |
1 |
| repoId |
IOS7969 |
| first_indexed |
2020-04-08T08:13:35Z |
| last_indexed |
2020-04-08T08:13:35Z |
| recordtype |
dc |
| _version_ |
1686587400967421952 |
| score |
17.538404 |