https://crackeddownload.com/product/orca-5-0-4-quantum-chemistry-software/ Orca 5.0.4 Quantum Chemistry Software ORCA ORCA is a powerful and versatile quantum chemistry software package, primarily developed by the group of Prof. Frank Neese. It is free for academic use, while commercial licenses are available through FACCTs. ORCA is also the computational engine inside our workflow tool WEASEL. CUTTING EDGE ORCA provides cutting-edge methods in the field of electronic structure theory, including density functional- as well as correlated wave function-based methods. With a strong user base of more than 67000 registered users in academia worldwide, ORCA is the fastest-growing quantum chemistry software package to date. FAST & ACCURATE We put great effort in making accurate calculations as fast as possible, and ORCA is known to be among the fastest quantum chemistry codes. Some developments such as the DLPNO and RIJCOSX schemes can speed up calculations by orders of magnitude and even lead to a linear-scaling increase in timing with respect to system size. COMPLETE ORCA is a multi-purpose quantum chemistry software package. It features a wide variety of methods ranging from semi-empirical methods to density functional theory to correlated single- and multi-reference wave function-based methods. Environmental as well as relativistic effects can be taken into account. We have the leading software tool in the calculation of molecular properties, and offer a native molecular dynamics module as well as a native QM/MM module for large-scale systems. EASY-TO-USE ORCA is designed and developed with attention to both users and their teams. Computational chemists and physicists work hand in hand with spectroscopists and bench chemists to develop a software that is suited and beneficial for all.
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