Gaussian 16 Revision C.01 Hot! [2024]

Gaussian 16 Revision C.01, released by Gaussian, Inc. , is a major update to the world-renowned quantum chemistry software package [11, 22]. This revision introduced critical performance enhancements and hardware support that significantly expanded its computational capabilities. 1. Key Performance & Hardware Support A100 GPU Support:

: Corrected the route for Opt=(TS,ReCalcFC=N) and improved the GEDIIS optimization algorithm for better stability in floppy molecules . gaussian 16 revision c.01

Rev C.01 corrects an oscillator strength bug present in Rev A.02 for PCM/TD-DFT. Gaussian 16 Revision C