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hot-molecule
TFCC approach for thermal vibronic problem
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Adapt with SOC
#26
bsonghao
opened
4 months ago
0
Parallel the VE-TFCC code
#25
bsonghao
opened
4 months ago
0
Run TFCC calculation for larger models
#24
bsonghao
opened
9 months ago
0
Investigate two by two models with large (different) linear displacement
#23
bsonghao
opened
11 months ago
0
Investigate more vibronic models and benchmark with the MCTDH
#22
bsonghao
opened
1 year ago
0
Investigate more on the modified projection manifold
#21
bsonghao
opened
1 year ago
0
Test on thermal properties
#20
bsonghao
opened
1 year ago
2
Optimize the basis setting of the MCTDH block relaxation calculation
#19
bsonghao
opened
1 year ago
0
profile the main simulation program
#18
bsonghao
opened
1 year ago
2
implement RK integrator on the TFCC approach
#17
bsonghao
opened
1 year ago
2
Derive CC residual equation for Hamiltonian that has higher (up to quartic) order expansion
#16
bsonghao
closed
1 year ago
0
Implement TNOE method for single surface but with higher order expansion of the potential
#15
bsonghao
opened
1 year ago
4
Test on real molecular system for the thermal field approach
#14
bsonghao
closed
1 year ago
5
Investigate new models
#13
bsonghao
opened
1 year ago
1
Further investigate the effect of the modified projection manifold
#12
bsonghao
opened
1 year ago
3
Recent plan
#11
bsonghao
closed
1 year ago
0
Investigate effect of the choice of TFCC reference state on a same models
#10
bsonghao
opened
1 year ago
1
Benchmark different models
#9
bsonghao
opened
1 year ago
4
Implement TFCC approach for full vibronic problem
#8
bsonghao
opened
1 year ago
5
Implement single surface mix CC/CI on top of thermal field reference state
#7
bsonghao
opened
1 year ago
1
Calculation physical density from the TFCC amplitudes
#6
bsonghao
opened
1 year ago
0
symmetrize the initial CC amplitude and Bogoliubov transformed Hamiltonian
#5
bsonghao
closed
1 year ago
3
Implement mixed CC / CI ansatz for the single surface problem
#4
bsonghao
closed
1 year ago
1
Implement TNOE method for full vibronic models
#3
bsonghao
opened
1 year ago
5
Implement single surface TNOE method
#2
bsonghao
closed
1 year ago
1
Map initial T amplitude under high temperature limit
#1
bsonghao
closed
1 year ago
0