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Wavefunction Stability Determination
EP39469
Poster Title: Wavefunction Stability Determination
Submitted on 01 Dec 2022
Author(s): Tylor
Affiliations:
Poster Views: 93
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Poster Information
Abstract: When a wavefunction can describe the molecular state appropriately, then it is considered to be stable. An appropriate wavefunction means that there is no wavefunction with lower energy than it. If there is a wave function with lower energy, a recalculation is required until a stable wavefunction is obtained. Wavefunction determines all the properties of the particle system. Therefore, an appropriate wavefunction for the particle system is crucial for accurately describing the properties of the system.Summary: For any specific molecular configuration, a wavefunction can be obtained by solving the self-consistent field equation to describe the state of the molecular configuration. References: https://wavefunction.alfa-chemistry.com/services/wavefunction-stability-determination.htmlReport abuse »
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