TURBOMOLE is a powerful Quantum Chemistry (QC) program package and one of the fastest and most stable codes available for standard quantum chemical applications (HF, DFT, MP2). Unlike many other programs, the main focus in the development of TURBOMOLE has not been to implement all new methods and fu...
Re: COSMO-RI-ADC(2) optimisations. It was for geometry optimisations, I had previously looked at the paper you sent and thought that gradients were already implemented in TMv7.4.1. Thanks for answering my query. Regards, Andrew Source: TM Forum
Bengaluru: July 02, 2020 at 04:17PM