├── BasicUsage.ipynb ├── BraketTutorial.ipynb ├── CircuitCompiler.ipynb ├── FAQ.ipynb ├── KrylovTutorial.ipynb ├── NoisySimulation.ipynb ├── OpenQASMConversions.ipynb ├── Optimizers.ipynb ├── QTensor.ipynb ├── README.md ├── chemistry ├── BasisSetFreeVQEExample.ipynb ├── ChemistryModule.ipynb ├── ExcitedStateVQE.ipynb ├── F12Correction.ipynb ├── GraphBasedCircuitDesign.ipynb ├── MadnessInterface.ipynb ├── Measurement_Optimization.ipynb ├── README.md ├── ReducedDensityMatrices.ipynb ├── SeparablePairAnsatz.ipynb ├── data │ ├── basis-set-free-molecules │ │ ├── beh2_0.75_gtensor.npy │ │ ├── beh2_1.0.xyz │ │ ├── beh2_1.0_custom.hdf5 │ │ ├── beh2_1.0_gtensor.npy │ │ ├── beh2_1.0_htensor.npy │ │ ├── beh2_1.0_pnoinfo.txt │ │ ├── beh2_1.1.xyz │ │ ├── beh2_1.1_custom.hdf5 │ │ ├── beh2_1.1_gtensor.npy │ │ ├── beh2_1.1_htensor.npy │ │ ├── beh2_1.1_pnoinfo.txt │ │ ├── beh2_1.25.xyz │ │ ├── beh2_1.25_custom.hdf5 │ │ ├── beh2_1.25_gtensor.npy │ │ ├── beh2_1.25_htensor.npy │ │ ├── beh2_1.25_pnoinfo.txt │ │ ├── beh2_1.3.xyz │ │ ├── beh2_1.3_custom.hdf5 │ │ ├── beh2_1.3_gtensor.npy │ │ ├── beh2_1.3_htensor.npy │ │ ├── beh2_1.3_pnoinfo.txt │ │ ├── beh2_1.4.xyz │ │ ├── beh2_1.4_custom.hdf5 │ │ ├── beh2_1.4_gtensor.npy │ │ ├── beh2_1.4_htensor.npy │ │ ├── beh2_1.4_pnoinfo.txt │ │ ├── beh2_1.5.xyz │ │ ├── beh2_1.5_custom.hdf5 │ │ ├── beh2_1.5_gtensor.npy │ │ ├── beh2_1.5_htensor.npy │ │ ├── beh2_1.5_pno_integrals.out │ │ ├── beh2_1.5_pnoinfo.txt │ │ ├── beh2_1.6_gtensor.npy │ │ ├── beh2_1.6_htensor.npy │ │ ├── beh2_1.6_pnoinfo.txt │ │ ├── beh2_1.75.xyz │ │ ├── beh2_1.75_custom.hdf5 │ │ ├── beh2_1.75_gtensor.npy │ │ ├── beh2_1.75_htensor.npy │ │ ├── beh2_1.75_pnoinfo.txt │ │ ├── beh2_2.0.xyz │ │ ├── beh2_2.0_custom.hdf5 │ │ ├── beh2_2.0_gtensor.npy │ │ ├── beh2_2.0_htensor.npy │ │ ├── beh2_2.0_pnoinfo.txt │ │ ├── beh2_2.25.xyz │ │ ├── beh2_2.25_custom.hdf5 │ │ ├── beh2_2.25_gtensor.npy │ │ ├── beh2_2.25_htensor.npy │ │ ├── beh2_2.25_pnoinfo.txt │ │ ├── beh2_2.3_gtensor.npy │ │ ├── beh2_2.5.xyz │ │ ├── beh2_2.5_custom.hdf5 │ │ ├── beh2_2.5_gtensor.npy │ │ ├── beh2_2.5_htensor.npy │ │ ├── beh2_2.5_pnoinfo.txt │ │ ├── beh2_2.6.xyz │ │ ├── beh2_2.6_custom.hdf5 │ │ ├── beh2_2.6_gtensor.npy │ │ ├── beh2_2.6_htensor.npy │ │ ├── beh2_2.6_pno_integrals.out │ │ ├── beh2_2.6_pnoinfo.txt │ │ ├── beh2_2.7.xyz │ │ ├── beh2_2.75.xyz │ │ ├── beh2_2.75_custom.hdf5 │ │ ├── beh2_2.75_gtensor.npy │ │ ├── beh2_2.75_htensor.npy │ │ ├── beh2_2.75_pnoinfo.txt │ │ ├── beh2_2.7_custom.hdf5 │ │ ├── beh2_2.7_gtensor.npy │ │ ├── beh2_2.7_htensor.npy │ │ ├── beh2_2.7_pno_integrals.out │ │ ├── beh2_2.7_pnoinfo.txt │ │ ├── beh2_2.8.xyz │ │ ├── beh2_2.8_custom.hdf5 │ │ ├── beh2_2.8_gtensor.npy │ │ ├── beh2_2.8_htensor.npy │ │ ├── beh2_2.8_pno_integrals.out │ │ ├── beh2_2.8_pnoinfo.txt │ │ ├── beh2_2.9.xyz │ │ ├── beh2_2.9_custom.hdf5 │ │ ├── beh2_2.9_gtensor.npy │ │ ├── beh2_2.9_htensor.npy │ │ ├── beh2_2.9_pno_integrals.out │ │ ├── beh2_2.9_pnoinfo.txt │ │ ├── beh2_3.0.xyz │ │ ├── beh2_3.0_custom.hdf5 │ │ ├── beh2_3.0_gtensor.npy │ │ ├── beh2_3.0_htensor.npy │ │ ├── beh2_3.0_pnoinfo.txt │ │ ├── beh2_3.1.xyz │ │ ├── beh2_3.1_custom.hdf5 │ │ ├── beh2_3.1_gtensor.npy │ │ ├── beh2_3.1_htensor.npy │ │ ├── beh2_3.1_pno_integrals.out │ │ ├── beh2_3.1_pnoinfo.txt │ │ ├── beh2_3.2.xyz │ │ ├── beh2_3.25.xyz │ │ ├── beh2_3.25_custom.hdf5 │ │ ├── beh2_3.25_gtensor.npy │ │ ├── beh2_3.25_htensor.npy │ │ ├── beh2_3.25_pnoinfo.txt │ │ ├── beh2_3.2_custom.hdf5 │ │ ├── beh2_3.2_gtensor.npy │ │ ├── beh2_3.2_htensor.npy │ │ ├── beh2_3.2_pno_integrals.out │ │ ├── beh2_3.2_pnoinfo.txt │ │ ├── beh2_3.3.xyz │ │ ├── beh2_3.3_custom.hdf5 │ │ ├── beh2_3.3_gtensor.npy │ │ ├── beh2_3.3_htensor.npy │ │ ├── beh2_3.3_pno_integrals.out │ │ ├── beh2_3.3_pnoinfo.txt │ │ ├── beh2_3.4.xyz │ │ ├── beh2_3.4_custom.hdf5 │ │ ├── beh2_3.4_gtensor.npy │ │ ├── beh2_3.4_htensor.npy │ │ ├── beh2_3.4_pno_integrals.out │ │ ├── beh2_3.4_pnoinfo.txt │ │ ├── beh2_3.5.xyz │ │ ├── beh2_3.5_custom.hdf5 │ │ ├── beh2_3.5_gtensor.npy │ │ ├── beh2_3.5_htensor.npy │ │ ├── beh2_3.5_pnoinfo.txt │ │ ├── beh2_3.6.xyz │ │ ├── beh2_3.6_custom.hdf5 │ │ ├── beh2_3.6_gtensor.npy │ │ ├── beh2_3.6_htensor.npy │ │ ├── beh2_3.6_pno_integrals.out │ │ ├── beh2_3.6_pnoinfo.txt │ │ ├── beh2_3.7.xyz │ │ ├── beh2_3.75.xyz │ │ ├── beh2_3.75_custom.hdf5 │ │ ├── beh2_3.75_gtensor.npy │ │ ├── beh2_3.75_htensor.npy │ │ ├── beh2_3.75_pnoinfo.txt │ │ ├── beh2_3.7_custom.hdf5 │ │ ├── beh2_3.7_gtensor.npy │ │ ├── beh2_3.7_htensor.npy │ │ ├── beh2_3.7_pno_integrals.out │ │ ├── beh2_3.7_pnoinfo.txt │ │ ├── beh2_3.8.xyz │ │ ├── beh2_3.8_custom.hdf5 │ │ ├── beh2_3.8_gtensor.npy │ │ ├── beh2_3.8_htensor.npy │ │ ├── beh2_3.8_pno_integrals.out │ │ ├── beh2_3.8_pnoinfo.txt │ │ ├── beh2_3.9.xyz │ │ ├── beh2_3.9_custom.hdf5 │ │ ├── beh2_3.9_gtensor.npy │ │ ├── beh2_3.9_htensor.npy │ │ ├── beh2_3.9_pno_integrals.out │ │ ├── beh2_3.9_pnoinfo.txt │ │ ├── beh2_4.0.xyz │ │ ├── beh2_4.0_custom.hdf5 │ │ ├── beh2_4.0_gtensor.npy │ │ ├── beh2_4.0_htensor.npy │ │ ├── beh2_4.0_pnoinfo.txt │ │ ├── beh2_4.25.xyz │ │ ├── beh2_4.25_custom.hdf5 │ │ ├── beh2_4.25_gtensor.npy │ │ ├── beh2_4.25_htensor.npy │ │ ├── beh2_4.25_pnoinfo.txt │ │ ├── beh2_4.5.xyz │ │ ├── beh2_4.5_custom.hdf5 │ │ ├── beh2_4.5_gtensor.npy │ │ ├── beh2_4.5_htensor.npy │ │ ├── beh2_4.5_pnoinfo.txt │ │ ├── beh2_4.75_gtensor.npy │ │ ├── beh2_4.75_htensor.npy │ │ ├── beh2_4.75_pnoinfo.txt │ │ ├── bh3_0.5.xyz │ │ ├── bh3_0.5_custom.hdf5 │ │ ├── bh3_0.5_gtensor.npy │ │ ├── bh3_0.5_htensor.npy │ │ ├── bh3_0.5_pnoinfo.txt │ │ ├── bh3_0.6.xyz │ │ ├── bh3_0.6_custom.hdf5 │ │ ├── bh3_0.6_gtensor.npy │ │ ├── bh3_0.6_htensor.npy │ │ ├── bh3_0.6_pnoinfo.txt │ │ ├── bh3_0.75.xyz │ │ ├── bh3_0.75_custom.hdf5 │ │ ├── bh3_0.75_gtensor.npy │ │ ├── bh3_0.75_htensor.npy │ │ ├── bh3_0.75_pnoinfo.txt │ │ ├── bh3_0.9.xyz │ │ ├── bh3_0.9_custom.hdf5 │ │ ├── bh3_0.9_gtensor.npy │ │ ├── bh3_0.9_htensor.npy │ │ ├── bh3_0.9_pnoinfo.txt │ │ ├── bh3_1.0.xyz │ │ ├── bh3_1.0_custom.hdf5 │ │ ├── bh3_1.0_gtensor.npy │ │ ├── bh3_1.0_htensor.npy │ │ ├── bh3_1.0_pnoinfo.txt │ │ ├── bh3_1.1.xyz │ │ ├── bh3_1.1_custom.hdf5 │ │ ├── bh3_1.1_gtensor.npy │ │ ├── bh3_1.1_htensor.npy │ │ ├── bh3_1.1_pnoinfo.txt │ │ ├── bh3_1.25.xyz │ │ ├── bh3_1.25_custom.hdf5 │ │ ├── bh3_1.25_gtensor.npy │ │ ├── bh3_1.25_htensor.npy │ │ ├── bh3_1.25_pnoinfo.txt │ │ ├── bh3_1.5.xyz │ │ ├── bh3_1.5_custom.hdf5 │ │ ├── bh3_1.5_gtensor.npy │ │ ├── bh3_1.5_htensor.npy │ │ ├── bh3_1.5_pnoinfo.txt │ │ ├── bh3_1.75.xyz │ │ ├── bh3_1.75_custom.hdf5 │ │ ├── bh3_1.75_gtensor.npy │ │ ├── bh3_1.75_htensor.npy │ │ ├── bh3_1.75_pnoinfo.txt │ │ ├── bh3_2.0.xyz │ │ ├── bh3_2.0_custom.hdf5 │ │ ├── bh3_2.0_gtensor.npy │ │ ├── bh3_2.0_htensor.npy │ │ ├── bh3_2.0_pnoinfo.txt │ │ ├── bh3_2.25.xyz │ │ ├── bh3_2.25_custom.hdf5 │ │ ├── bh3_2.25_gtensor.npy │ │ ├── bh3_2.25_htensor.npy │ │ ├── bh3_2.25_pnoinfo.txt │ │ ├── bh3_2.5.xyz │ │ ├── bh3_2.5_custom.hdf5 │ │ ├── bh3_2.5_gtensor.npy │ │ ├── bh3_2.5_htensor.npy │ │ ├── bh3_2.5_pnoinfo.txt │ │ ├── bh3_2.75.xyz │ │ ├── bh3_2.75_custom.hdf5 │ │ ├── bh3_2.75_gtensor.npy │ │ ├── bh3_2.75_htensor.npy │ │ ├── bh3_2.75_pnoinfo.txt │ │ ├── bh3_3.0_gtensor.npy │ │ ├── bh3_3.0_htensor.npy │ │ ├── bh3_3.0_pnoinfo.txt │ │ ├── bh3_3.25_gtensor.npy │ │ ├── bh3_3.25_htensor.npy │ │ ├── bh3_3.25_pnoinfo.txt │ │ ├── format.sh │ │ ├── h2_0.5_custom.hdf5 │ │ ├── h2_0.5_gtensor.npy │ │ ├── h2_0.5_htensor.npy │ │ ├── h2_0.5_pno_integrals.out │ │ ├── h2_0.5_pnoinfo.txt │ │ ├── h2_0.6_custom.hdf5 │ │ ├── h2_0.6_gtensor.npy │ │ ├── h2_0.6_htensor.npy │ │ ├── h2_0.6_pno_integrals.out │ │ ├── h2_0.6_pnoinfo.txt │ │ ├── h2_0.75_custom.hdf5 │ │ ├── h2_0.75_gtensor.npy │ │ ├── h2_0.75_htensor.npy │ │ ├── h2_0.75_pno_integrals.out │ │ ├── h2_0.75_pnoinfo.txt │ │ ├── h2_0.7_custom.hdf5 │ │ ├── h2_0.7_gtensor.npy │ │ ├── h2_0.7_htensor.npy │ │ ├── h2_0.7_pno_integrals.out │ │ ├── h2_0.7_pnoinfo.txt │ │ ├── h2_0.8_custom.hdf5 │ │ ├── h2_0.8_gtensor.npy │ │ ├── h2_0.8_htensor.npy │ │ ├── h2_0.8_pno_integrals.out │ │ ├── h2_0.8_pnoinfo.txt │ │ ├── h2_0.9_custom.hdf5 │ │ ├── h2_0.9_gtensor.npy │ │ ├── h2_0.9_htensor.npy │ │ ├── h2_0.9_pno_integrals.out │ │ ├── h2_0.9_pnoinfo.txt │ │ ├── h2_1.0_custom.hdf5 │ │ ├── h2_1.0_gtensor.npy │ │ ├── h2_1.0_htensor.npy │ │ ├── h2_1.0_pno_integrals.out │ │ ├── h2_1.0_pnoinfo.txt │ │ ├── h2_1.25_custom.hdf5 │ │ ├── h2_1.25_gtensor.npy │ │ ├── h2_1.25_htensor.npy │ │ ├── h2_1.25_pno_integrals.out │ │ ├── h2_1.25_pnoinfo.txt │ │ ├── h2_1.5_custom.hdf5 │ │ ├── h2_1.5_gtensor.npy │ │ ├── h2_1.5_htensor.npy │ │ ├── h2_1.5_pno_integrals.out │ │ ├── h2_1.5_pnoinfo.txt │ │ ├── h2_1.75_custom.hdf5 │ │ ├── h2_1.75_gtensor.npy │ │ ├── h2_1.75_htensor.npy │ │ ├── h2_1.75_pno_integrals.out │ │ ├── h2_1.75_pnoinfo.txt │ │ ├── h2_2.0_custom.hdf5 │ │ ├── h2_2.0_gtensor.npy │ │ ├── h2_2.0_htensor.npy │ │ ├── h2_2.0_pno_integrals.out │ │ ├── h2_2.0_pnoinfo.txt │ │ ├── h2_2.25_custom.hdf5 │ │ ├── h2_2.25_gtensor.npy │ │ ├── h2_2.25_htensor.npy │ │ ├── h2_2.25_pno_integrals.out │ │ ├── h2_2.25_pnoinfo.txt │ │ ├── h2_2.5_custom.hdf5 │ │ ├── h2_2.5_gtensor.npy │ │ ├── h2_2.5_htensor.npy │ │ ├── h2_2.5_pno_integrals.out │ │ ├── h2_2.5_pnoinfo.txt │ │ ├── h2_2.75_custom.hdf5 │ │ ├── h2_2.75_gtensor.npy │ │ ├── h2_2.75_htensor.npy │ │ ├── h2_2.75_pno_integrals.out │ │ ├── h2_2.75_pnoinfo.txt │ │ ├── lih_0.5_custom.hdf5 │ │ ├── lih_0.5_gtensor.npy │ │ ├── lih_0.5_htensor.npy │ │ ├── lih_0.5_pno_integrals.out │ │ ├── lih_0.5_pnoinfo.txt │ │ ├── lih_0.75_custom.hdf5 │ │ ├── lih_0.75_gtensor.npy │ │ ├── lih_0.75_htensor.npy │ │ ├── lih_0.75_pno_integrals.out │ │ ├── lih_0.75_pnoinfo.txt │ │ ├── lih_1.0_custom.hdf5 │ │ ├── lih_1.0_gtensor.npy │ │ ├── lih_1.0_htensor.npy │ │ ├── lih_1.0_pno_integrals.out │ │ ├── lih_1.0_pnoinfo.txt │ │ ├── lih_1.25_custom.hdf5 │ │ ├── lih_1.25_gtensor.npy │ │ ├── lih_1.25_htensor.npy │ │ ├── lih_1.25_pno_integrals.out │ │ ├── lih_1.25_pnoinfo.txt │ │ ├── lih_1.4_custom.hdf5 │ │ ├── lih_1.4_gtensor.npy │ │ ├── lih_1.4_htensor.npy │ │ ├── lih_1.4_pno_integrals.out │ │ ├── lih_1.4_pnoinfo.txt │ │ ├── lih_1.5_custom.hdf5 │ │ ├── lih_1.5_gtensor.npy │ │ ├── lih_1.5_htensor.npy │ │ ├── lih_1.5_pno_integrals.out │ │ ├── lih_1.5_pnoinfo.txt │ │ ├── lih_1.6_custom.hdf5 │ │ ├── lih_1.6_gtensor.npy │ │ ├── lih_1.6_htensor.npy │ │ ├── lih_1.6_pno_integrals.out │ │ ├── lih_1.6_pnoinfo.txt │ │ ├── lih_1.75_custom.hdf5 │ │ ├── lih_1.75_gtensor.npy │ │ ├── lih_1.75_htensor.npy │ │ ├── lih_1.75_pno_integrals.out │ │ ├── lih_1.75_pnoinfo.txt │ │ ├── lih_1.7_custom.hdf5 │ │ ├── lih_1.7_gtensor.npy │ │ ├── lih_1.7_htensor.npy │ │ ├── lih_1.7_pno_integrals.out │ │ ├── lih_1.7_pnoinfo.txt │ │ ├── lih_2.0_custom.hdf5 │ │ ├── lih_2.0_gtensor.npy │ │ ├── lih_2.0_htensor.npy │ │ ├── lih_2.0_pno_integrals.out │ │ ├── lih_2.0_pnoinfo.txt │ │ ├── lih_2.25_custom.hdf5 │ │ ├── lih_2.25_gtensor.npy │ │ ├── lih_2.25_htensor.npy │ │ ├── lih_2.25_pno_integrals.out │ │ ├── lih_2.25_pnoinfo.txt │ │ ├── lih_2.5_custom.hdf5 │ │ ├── lih_2.5_gtensor.npy │ │ ├── lih_2.5_htensor.npy │ │ ├── lih_2.5_pno_integrals.out │ │ ├── lih_2.5_pnoinfo.txt │ │ ├── lih_2.75_custom.hdf5 │ │ ├── lih_2.75_gtensor.npy │ │ ├── lih_2.75_htensor.npy │ │ ├── lih_2.75_pno_integrals.out │ │ ├── lih_2.75_pnoinfo.txt │ │ ├── lih_3.0_custom.hdf5 │ │ ├── lih_3.0_gtensor.npy │ │ ├── lih_3.0_htensor.npy │ │ ├── lih_3.0_pno_integrals.out │ │ ├── lih_3.0_pnoinfo.txt │ │ ├── lih_3.25_custom.hdf5 │ │ ├── lih_3.25_gtensor.npy │ │ ├── lih_3.25_htensor.npy │ │ ├── lih_3.25_pno_integrals.out │ │ ├── lih_3.25_pnoinfo.txt │ │ ├── lih_3.5_custom.hdf5 │ │ ├── lih_3.5_gtensor.npy │ │ ├── lih_3.5_htensor.npy │ │ ├── lih_3.5_pno_integrals.out │ │ ├── lih_3.5_pnoinfo.txt │ │ ├── lih_3.75_custom.hdf5 │ │ ├── lih_3.75_gtensor.npy │ │ ├── lih_3.75_htensor.npy │ │ ├── lih_3.75_pno_integrals.out │ │ ├── lih_3.75_pnoinfo.txt │ │ ├── lih_4.0_custom.hdf5 │ │ ├── lih_4.0_gtensor.npy │ │ ├── lih_4.0_htensor.npy │ │ ├── lih_4.0_pno_integrals.out │ │ ├── lih_4.0_pnoinfo.txt │ │ ├── lih_4.25_custom.hdf5 │ │ ├── lih_4.25_gtensor.npy │ │ ├── lih_4.25_htensor.npy │ │ ├── lih_4.25_pno_integrals.out │ │ ├── lih_4.25_pnoinfo.txt │ │ ├── lih_4.5_custom.hdf5 │ │ ├── lih_4.5_gtensor.npy │ │ ├── lih_4.5_htensor.npy │ │ ├── lih_4.5_pno_integrals.out │ │ ├── lih_4.5_pnoinfo.txt │ │ ├── lih_4.75_custom.hdf5 │ │ ├── lih_4.75_gtensor.npy │ │ ├── lih_4.75_htensor.npy │ │ ├── lih_4.75_pno_integrals.out │ │ ├── lih_4.75_pnoinfo.txt │ │ ├── lih_5.0_custom.hdf5 │ │ ├── lih_5.0_gtensor.npy │ │ ├── lih_5.0_htensor.npy │ │ ├── lih_5.0_pno_integrals.out │ │ ├── lih_5.0_pnoinfo.txt │ │ ├── lih_5.25_custom.hdf5 │ │ ├── lih_5.25_gtensor.npy │ │ ├── lih_5.25_htensor.npy │ │ ├── lih_5.25_pno_integrals.out │ │ ├── lih_5.25_pnoinfo.txt │ │ ├── n2_0.75_custom.hdf5 │ │ ├── n2_0.75_gtensor.npy │ │ ├── n2_0.75_htensor.npy │ │ ├── n2_0.75_pnoinfo.txt │ │ ├── n2_0.8_custom.hdf5 │ │ ├── n2_0.8_gtensor.npy │ │ ├── n2_0.8_htensor.npy │ │ ├── n2_0.8_pnoinfo.txt │ │ ├── n2_0.9_custom.hdf5 │ │ ├── n2_0.9_gtensor.npy │ │ ├── n2_0.9_htensor.npy │ │ ├── n2_0.9_pnoinfo.txt │ │ ├── n2_1.00_gtensor.npy │ │ ├── n2_1.0_custom.hdf5 │ │ ├── n2_1.0_gtensor.npy │ │ ├── n2_1.0_htensor.npy │ │ ├── n2_1.0_pnoinfo.txt │ │ ├── n2_1.1_custom.hdf5 │ │ ├── n2_1.1_gtensor.npy │ │ ├── n2_1.1_htensor.npy │ │ ├── n2_1.1_pnoinfo.txt │ │ ├── n2_1.25_custom.hdf5 │ │ ├── n2_1.25_gtensor.npy │ │ ├── n2_1.25_htensor.npy │ │ ├── n2_1.25_pnoinfo.txt │ │ ├── n2_1.2_custom.hdf5 │ │ ├── n2_1.2_gtensor.npy │ │ ├── n2_1.2_htensor.npy │ │ ├── n2_1.2_pnoinfo.txt │ │ ├── n2_1.3_custom.hdf5 │ │ ├── n2_1.3_gtensor.npy │ │ ├── n2_1.3_htensor.npy │ │ ├── n2_1.3_pnoinfo.txt │ │ ├── n2_1.4_custom.hdf5 │ │ ├── n2_1.4_gtensor.npy │ │ ├── n2_1.4_htensor.npy │ │ ├── n2_1.4_pnoinfo.txt │ │ ├── n2_1.5_custom.hdf5 │ │ ├── n2_1.5_gtensor.npy │ │ ├── n2_1.5_htensor.npy │ │ ├── n2_1.5_pnoinfo.txt │ │ ├── n2_1.75_custom.hdf5 │ │ ├── n2_1.75_gtensor.npy │ │ ├── n2_1.75_htensor.npy │ │ ├── n2_1.75_pnoinfo.txt │ │ ├── n2_2.0_custom.hdf5 │ │ ├── n2_2.0_gtensor.npy │ │ ├── n2_2.0_htensor.npy │ │ ├── n2_2.0_pnoinfo.txt │ │ ├── n2_2.25_custom.hdf5 │ │ ├── n2_2.25_gtensor.npy │ │ ├── n2_2.25_htensor.npy │ │ ├── n2_2.25_pnoinfo.txt │ │ ├── n2_2.5_custom.hdf5 │ │ ├── n2_2.5_gtensor.npy │ │ ├── n2_2.5_htensor.npy │ │ ├── n2_2.5_pnoinfo.txt │ │ ├── n2_2.75_custom.hdf5 │ │ ├── n2_2.75_gtensor.npy │ │ ├── n2_2.75_htensor.npy │ │ ├── n2_2.75_pnoinfo.txt │ │ ├── n2_3.0_custom.hdf5 │ │ ├── n2_3.0_gtensor.npy │ │ ├── n2_3.0_htensor.npy │ │ ├── n2_3.0_pnoinfo.txt │ │ ├── n2_3.25_gtensor.npy │ │ ├── timer.dat │ │ └── tst.py │ ├── benzene.xyz │ ├── benzene_sto-3g.hdf5 │ ├── benzene_sto-3g_detci.out │ ├── benzene_sto-3g_fci.out │ ├── benzene_sto-3g_hf.out │ ├── benzene_sto-3g_mp2.out │ ├── ex_solver_cartoon-1.png │ └── h2_pnos │ │ ├── h2_0.5_4so │ │ ├── one_body_integrals.npy │ │ └── two_body_integrals.npy │ │ ├── h2_0.6_4so │ │ ├── one_body_integrals.npy │ │ └── two_body_integrals.npy │ │ ├── h2_0.7_4so │ │ ├── one_body_integrals.npy │ │ └── two_body_integrals.npy │ │ ├── h2_0.8_4so │ │ ├── one_body_integrals.npy │ │ └── two_body_integrals.npy │ │ ├── h2_0.9_4so │ │ ├── one_body_integrals.npy │ │ └── two_body_integrals.npy │ │ ├── h2_1.0_4so │ │ ├── one_body_integrals.npy │ │ └── two_body_integrals.npy │ │ ├── h2_1.1_4so │ │ ├── one_body_integrals.npy │ │ └── two_body_integrals.npy │ │ ├── h2_1.2_4so │ │ ├── one_body_integrals.npy │ │ └── two_body_integrals.npy │ │ ├── h2_1.3_4so │ │ ├── one_body_integrals.npy │ │ └── two_body_integrals.npy │ │ ├── h2_1.4_4so │ │ ├── one_body_integrals.npy │ │ └── two_body_integrals.npy │ │ ├── h2_2.0_4so │ │ ├── one_body_integrals.npy │ │ └── two_body_integrals.npy │ │ ├── h2_3.0_4so │ │ ├── one_body_integrals.npy │ │ └── two_body_integrals.npy │ │ └── h2_4.0_4so │ │ ├── one_body_integrals.npy │ │ └── two_body_integrals.npy └── pics │ ├── adaptive_general.png │ ├── beh2_spa+gas.png │ ├── beh2_spa.png │ ├── electron_pair_circuit.png │ ├── f12ad.png │ ├── h4_graph_1.png │ ├── h4_graph_2.png │ ├── h4_orbital_guess.png │ ├── h4_orbital_result.png │ ├── h4_orbitals_2.png │ ├── madness_interface.png │ └── overview_cartoon.png ├── other ├── BasicQuantumAlgorithms.ipynb ├── General_Function_Generator_1D.ipynb ├── General_Function_Generator_2D.ipynb ├── OptimizeDistributions.ipynb ├── PHILTER.ipynb ├── PyTorchInterface.ipynb ├── PyZXwithTequila.ipynb ├── QTensorImplementationNotes.ipynb ├── QuantumAmplitudeAmplification.ipynb ├── QuantumCalculator.ipynb ├── QuantumFourierTransformation.ipynb ├── QuantumPhaseEstimation.ipynb ├── Quanv_Neural_Net │ ├── Filters.png │ ├── Our_approach.jpg │ ├── Plots.png │ └── Quantum_circuit.jpg ├── QuanvolutionalNeuralNet.ipynb ├── StatePreparationTutorial.ipynb ├── TensorFlowInterface.ipynb └── pics │ ├── PHILTER Diagram.png │ ├── QAA Diagram.png │ ├── QAA Grover Example.png │ ├── QFT Circuit.png │ ├── QFT Computational Basis.png │ ├── QFT Fourier Basis.png │ ├── QPE Proabablity Plot.png │ ├── QPE Schematic.png │ ├── QPE Steps.png │ ├── Quantum Amplitude Amplification.png │ ├── Quantum Computional Basis.png │ ├── Quantum Fourier Basis.png │ ├── S_D Gate.png │ └── T Gate Example.png ├── pics ├── overlap_circuit.png └── qtensor.png └── research ├── SingleQubitClassifier.ipynb ├── generalized-adapt ├── AdaptiveSolver.ipynb ├── README.md └── adaptive_general.png ├── optimized-measurements ├── FermionicMethods.ipynb ├── FluidFermionicFragments.png ├── Ghost.png ├── MeasurementGroups.ipynb ├── QubitMethods.ipynb └── README.md ├── robustness-intervals ├── README.md └── RobustnessIntervals.ipynb └── trotter_error ├── .ipynb_checkpoints └── Analysis_Trotter-checkpoint.ipynb ├── Analysis_Trotter.ipynb ├── Frag_Lib ├── FC-LF │ ├── h2_FC-LFFiltFrags │ └── lih_FC-LFFiltFrags ├── FC-SI │ ├── h2_FC-SIFiltFrags │ ├── h2_FC-SIFrags │ └── lih_FC-SIFiltFrags ├── FRO │ ├── h2_FROFiltFrags │ ├── h2_FROFrags │ └── lih_FROFiltFrags ├── GFRO │ ├── h2_GFROFiltFrags │ 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