Optimization of highly excited matrix product states with an application to vibrational spectroscopy

Keyphrases

• Coulomb Hamiltonian 33%
• Density Matrix Renormalization Group 100%
• Density of States 66%
• Diagonalization 33%
• Efficient Approximation 33%
• Energy Region 33%
• Ethylene 33%
• Excitation Levels 33%
• Excited States 66%
• Full Configuration Interaction 33%
• Glycine Dipeptide 33%
• Grouping Algorithm 66%
• High Density 66%
• High Energy States 33%
• Highly Excited States 66%
• Highly Excited Vibrational State 33%
• Interaction Solutions 33%
• Large Molecules 33%
• Low-lying 33%
• Low-lying States 33%
• Matrix Product States 100%
• One-based 66%
• Parallelization 33%
• Sarcosine 33%
• Schrödinger Equation 33%
• Shift-and-invert 33%
• Specific Energy 33%
• Spectral Features 33%
• State Optimization 33%
• Stochastic Sampling 33%
• Vibrational Spectroscopy 100%
• Wave Function 33%
• X-ray Spectra 33%

Chemistry

• Configuration Interaction 25%
• Density Matrix 75%
• Density of State 50%
• Dipeptide 25%
• electronics 25%
• Energy State 25%
• Ethylene 25%
• Excited State 100%
• Excited Vibrational State 25%
• Ground State 25%
• Sarcosine 25%
• vibrational spectroscopy 100%
• Wave Function 25%
• X-Ray Spectra 25%