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2022/04/29 10:05 Multireference Rayleigh Schrödinger perturbation theory – [Multireference Rayleigh Schrödinger perturbation theory] qianli +296 B
2021/10/30 17:08 Multireference Rayleigh Schrödinger perturbation theory – [Performing MS-MR-CASPT2 calculations] qianli ±0 B
2021/10/14 15:33 Multireference Rayleigh Schrödinger perturbation theory – [Modified Fock-operators in the zeroth-order Hamiltonian.] qianli -1 B
2021/10/14 15:26 Multireference Rayleigh Schrödinger perturbation theory – [Multireference Rayleigh Schrödinger perturbation theory] qianli +3 B
2021/10/14 15:22 Multireference Rayleigh Schrödinger perturbation theory – [Performing MS-MR-CASPT2 calculations] qianli +2 B
2021/10/14 15:17 Multireference Rayleigh Schrödinger perturbation theory – qianli +8 B
2021/10/14 15:11 Multireference Rayleigh Schrödinger perturbation theory – Update pyrrole XMS example to use DF-RS2C qianli +46 B
2021/10/11 13:52 Multireference Rayleigh Schrödinger perturbation theory – [CASPT2 gradients] qianli +73 B
2021/10/11 13:49 Multireference Rayleigh Schrödinger perturbation theory – [Multireference Rayleigh Schrödinger perturbation theory] qianli +63 B
2021/10/11 13:47 Multireference Rayleigh Schrödinger perturbation theory – [Multi-State CASPT2] qianli -208 B
2021/05/08 17:26 Multireference Rayleigh Schrödinger perturbation theory – [Multi-State CASPT2] qianli +267 B
2021/05/08 14:05 Multireference Rayleigh Schrödinger perturbation theory – [Multi-State CASPT2] werner +99 B
2021/04/29 08:52 Multireference Rayleigh Schrödinger perturbation theory – Update ms-mr-caspt2 figure qianli -25 B
2021/04/29 08:46 Multireference Rayleigh Schrödinger perturbation theory – Remove duplicated figure qianli -28 B
2020/06/11 18:17 Multireference Rayleigh Schrödinger perturbation theory – external edit 127.0.0.1 +29.1 KB