Modeling The Runtime of Guassian In Quantum Computing Methods |
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| © 2021 by IJCTT Journal | ||
| Volume-69 Issue-2 |
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| Year of Publication : 2021 | ||
| Authors : S. Kayathri | ||
| DOI : 10.14445/22312803/IJCTT-V69I2P109 | ||
How to Cite?
S. Kayathri, "Modeling The Runtime of Guassian In Quantum Computing Methods," International Journal of Computer Trends and Technology, vol. 69, no. 2, pp. 61-63, 2021. Crossref, 10.14445/22312803/IJCTT-V69I2P109
Abstract
In quantum computing methods, density functional theory (DFT) is the most powerful approach to calculate the electronic structure of physical systems containing a large number of atoms. Currently, a variety of computational methods that implement DFT equations in the basis set of plane waves, Gaussians, localized numerical orbital using real-space representation. There is a huge interest to make further progress in the modeling development of electronic structure calculations. In that regard, so many different and complementary research directions are currently pursued worldwide. One direction is devoted to developing methods that give accurate results in cases where standard approximations in DFT these developments include much fundamental theory.
Keywords
B3LYP, cache line, DFT, Guassian, HartreeFock, optimization.
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