Modern State of the Conventional DFT Method Studies and the Limits Following from the Quantum State of the System and Its Total Spin
At present, the density functional theory (DFT) approach became the most widely used method for study molecules and solids. In the atmosphere of such great popularity, it is particularly important to know the limits of the applicability of DFT methods. In this chapter, I will discuss the modern stat...
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| Format: | Book Chapter |
| Language: | English |
| Published: |
IntechOpen
2022
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| Online Access: | https://www.intechopen.com/chapters/81267 |
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