METHODS FOR A MULTI-SCALE DESCRIPTION OF THE ELECTRONIC STRUCTURE OF MOLECULAR SYSTEMS AND MATERIALS AND RELATED APPLICATIONS
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app pub date -
Nov 20, 2014
filing date -
Nov 20, 2013
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Abstract
A method for simulating a molecular system involving partitioning the system into a plurality of subsystems at the level of one-particle basis functions and applying different mean-field levels of accuracy to the subsystems is described. One or more subsystems are treated with more computationally costly mean-field methods than the other subsystems in the molecular system.
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| Country | kind | publication No. | Filing Date |
|---|---|---|---|
| WO | A1 | WO2015077495 | Nov 20, 2014 |
International Classification(s)
- 2014 Application Filing Year
- G06T Class
- 7320 Applications Filed
- 5464 Patents Issued To-Date
- 74.65 % Issued To-Date
Cited Art Landscape
Patent Citation Ranking
- 22 Citation Count
- G06T Class
- 80.85 % this patent is cited more than
- 10 Age