issues
search
bsonghao
/
Thermal-Field
thermal field coupled cluster method: A new method for finite temperature electronic structure
1
stars
0
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Solve the chemical potential issue
#29
bsonghao
opened
2 months ago
0
Investigate more complicated systems
#28
bsonghao
opened
2 months ago
1
Add two-body cumulant contribution at initial beta=0
#27
bsonghao
opened
2 months ago
1
Write a procedure for FCI thermal calcuation in CAS
#26
bsonghao
closed
2 months ago
1
change the expression of two-body reduce matrix
#25
bsonghao
opened
2 years ago
2
resolve the numerical problem of the exponential factor
#24
bsonghao
opened
2 years ago
0
implement interaction picture method
#23
bsonghao
opened
2 years ago
5
Bench HF molecule with CAS-TFCC method
#22
bsonghao
opened
2 years ago
2
Resolve numerical issues
#21
bsonghao
opened
2 years ago
0
Implement change of projection manifold
#20
bsonghao
opened
2 years ago
0
Implement modified parameters to the original Hamiltonian
#19
bsonghao
opened
2 years ago
6
Conduct CASSCF calculation in PySCF
#18
bsonghao
opened
2 years ago
5
comparing FCI result (from Marcel's code) with TFCC
#17
bsonghao
opened
2 years ago
5
investigate model magnetic system
#16
bsonghao
opened
2 years ago
7
Add constraint on two body density matrix
#15
bsonghao
opened
2 years ago
2
Exam trace condition at low temperature
#14
bsonghao
opened
2 years ago
1
Investigate more complicated systems
#13
bsonghao
opened
2 years ago
0
check the implementation of N-representability constraint
#12
bsonghao
opened
2 years ago
2
N-representability problem
#11
bsonghao
opened
2 years ago
8
investigate derivative of occupation number
#10
bsonghao
opened
2 years ago
0
Investigate the 2-body density matrix
#9
bsonghao
opened
2 years ago
0
Investigate dependence of thermal properties on temperature for thermal field reference state
#8
bsonghao
opened
2 years ago
1
Compare the thermal field CCS with mean field Fermi-Diract result
#7
bsonghao
opened
2 years ago
0
Symmetrize the 1-RDM and 2-RDM
#6
bsonghao
opened
2 years ago
2
resolve the issue for abnormal occupation number
#5
bsonghao
opened
2 years ago
2
Further debug the CC residue
#4
bsonghao
opened
2 years ago
1
Debug thermal field code
#3
bsonghao
opened
2 years ago
5
checklist from Marcel on HF code
#2
bsonghao
opened
2 years ago
1
I need your help
#1
bsonghao
opened
2 years ago
3