MoRiBS-PIMC: A program to simulate molecular rotors in bosonic solvents using path-integral Monte Carlo
| Main Author: | CPC, Mendeley |
|---|---|
| Other Authors: | Zeng, Tao, Blinov, Nicholas, Guillon, Grégoire, Li, Hui, Bishop, Kevin P., Roy, Pierre-Nicholas |
| Format: | Dataset |
| Terbitan: |
Mendeley
, 2016
|
| Subjects: | |
| Online Access: |
https:/data.mendeley.com/datasets/ss78bgv3c5 |
| ctrlnum |
0.17632-ss78bgv3c5.1 |
|---|---|
| fullrecord |
<?xml version="1.0"?>
<dc><creator>CPC, Mendeley</creator><title>MoRiBS-PIMC: A program to simulate molecular rotors in bosonic solvents using path-integral Monte Carlo </title><publisher>Mendeley</publisher><description>Abstract
We provide the source code of our in-house program MoRiBS-PIMC. This program was developed to simulate rigid molecules rotating in bosonic clusters composed of helium atoms, parahydrogen molecules or any other bosonic point solvent particles. The program can be employed to obtain superfluid response, structural and energetic properties as well as imaginary time correlation functions of dipole operators. These quantities can be used to interpret and predict the results of spectroscopic Androni...
Title of program: MoRiBS-PIMC
Catalogue Id: AFAD_v1_0
Nature of problem
Many body quantum physics, rigid-body rotation, atomic and molecular clusters, bosonic exchange and superfluidity
Versions of this program held in the CPC repository in Mendeley Data
AFAD_v1_0; MoRiBS-PIMC; 10.1016/j.cpc.2016.02.025
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)</description><subject>Physical Chemistry</subject><subject>Molecular Physics</subject><subject>Statistical Physics</subject><subject>Computational Physics</subject><subject>Thermodynamics</subject><contributor>Zeng, Tao</contributor><contributor>Blinov, Nicholas</contributor><contributor>Guillon, Grégoire</contributor><contributor>Li, Hui</contributor><contributor>Bishop, Kevin P.</contributor><contributor>Roy, Pierre-Nicholas</contributor><type>Other:Dataset</type><identifier>10.17632/ss78bgv3c5.1</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/ss78bgv3c5</relation><date>2016-07-01T11:00:00Z</date><recordID>0.17632-ss78bgv3c5.1</recordID></dc>
|
| format |
Other:Dataset Other |
| author |
CPC, Mendeley |
| author2 |
Zeng, Tao Blinov, Nicholas Guillon, Grégoire Li, Hui Bishop, Kevin P. Roy, Pierre-Nicholas |
| title |
MoRiBS-PIMC: A program to simulate molecular rotors in bosonic solvents using path-integral Monte Carlo |
| publisher |
Mendeley |
| publishDate |
2016 |
| topic |
Physical Chemistry Molecular Physics Statistical Physics Computational Physics Thermodynamics |
| url |
https:/data.mendeley.com/datasets/ss78bgv3c5 |
| contents |
Abstract
We provide the source code of our in-house program MoRiBS-PIMC. This program was developed to simulate rigid molecules rotating in bosonic clusters composed of helium atoms, parahydrogen molecules or any other bosonic point solvent particles. The program can be employed to obtain superfluid response, structural and energetic properties as well as imaginary time correlation functions of dipole operators. These quantities can be used to interpret and predict the results of spectroscopic Androni...
Title of program: MoRiBS-PIMC
Catalogue Id: AFAD_v1_0
Nature of problem
Many body quantum physics, rigid-body rotation, atomic and molecular clusters, bosonic exchange and superfluidity
Versions of this program held in the CPC repository in Mendeley Data
AFAD_v1_0; MoRiBS-PIMC; 10.1016/j.cpc.2016.02.025
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) |
| id |
IOS7969.0.17632-ss78bgv3c5.1 |
| 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 |
2020-04-08T08:14:10Z |
| last_indexed |
2020-04-08T08:14:10Z |
| recordtype |
dc |
| _version_ |
1686587404366905344 |
| score |
17.538404 |