Publications by authors named "Kasper Hald"
Article Synopsis
- Dalton is a versatile program for analyzing molecular electronic structure using various advanced theoretical methods like Hartree-Fock and configuration interaction.
- It provides calculations for a range of molecular properties, including energy, gradients for optimization, and responses for studies like vibrational and magnetic resonance.
- Dalton is free to use and compatible with UNIX systems, allowing research on large molecules through efficient algorithms.