Search for Global Minimum Structures of P2n+1+ (n = 1–15) Using xTB-Based Basin-Hopping Algorithm
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DOI: 10.3389/fchem.2021.694156
Abstract: A new program for searching global minimum structures of atomic clusters using basin-hopping algorithm based on the xTB method was developed here. The program can be performed with a much higher speed than its replacement… read more here.
Keywords: hopping algorithm; minimum structures; global minimum; program ... See more keywords