Chemistry
k·p perturbation theory
100%
Perturbation Theory
100%
Lagrangian
80%
Molecular Property
41%
Coupled Cluster Singles and Doubles Theory
41%
Excited State
40%
Electronic State
33%
Absorption Spectrum
33%
Wave Function
33%
Density Matrix
33%
Ground State
33%
Quantum Chemistry
33%
Core Ionization Potential
33%
CCSD
33%
Coupled Cluster
33%
Wave Function
33%
Absorption Spectra
16%
Benzene
16%
X-Ray Spectroscopy
16%
Organic Molecule
16%
Ab Initio Calculation
16%
Carbon Atom
13%
Molecular Orbital
13%
Quantum Chemical Calculations
11%
Electronic Excitation
11%
Dipole Moment
11%
Coupled Cluster Theory
8%
Purity
6%
Keyphrases
Cluster Perturbation Theory
66%
Matrix Formulation
33%
Reduced Density Matrix
33%
Linear Response
33%
Core-valence Separation
33%
Ionization Potential
33%
Core Ionization
33%
Excitation Energy
33%
Core-excited States
33%
Cc-pVTZ
16%
Spectral Properties
16%
Oxygen K-edge
16%
Singly Occupied Molecular Orbital
13%
Moment Excitation
11%
Hybrid Message Passing
11%
Linear Response Theory
8%
Hybrid Method
8%
Quantum Computing
8%
Absorption Spectra
8%
Methyloxirane
8%
Active Space
8%
Quantum Chemistry
8%
Molecular Systems
8%
Benzene
8%
Photoinduced
8%
K-edge Absorption
8%
Quantum Hardware
8%
Shot Noise
8%
Valence
8%
Driven Approach
8%
Orbital Rotation
8%
Reference Results
8%
Orbital Excitation
8%
Perturbation Series
8%
Organic Molecules
8%
Quantum Chemical Methods
8%
Medium Size
8%
D-orbital
8%
Core Excitation
8%
Energy Model
8%
X-ray Spectroscopy
8%
Carbon-nitrogen
8%
Ab Initio Calculations
8%
X-ray Experiment
8%
Computational Procedures
8%
Electron-ion Coincidence
6%
Coincidence Spectroscopy
6%
Engineering
Excitation Energy
66%
Reformulation
35%
Linear Response
33%
Density Matrix
33%
Matrix Formulation
33%
Ground State Energy
33%
Basis Function
33%
Ionization Potential
33%
Energy Function
33%
Energy Engineering
16%
Moment Excitation
16%
Modern Computer
16%
Accurate Calculation
16%
Electronic Excitation
16%
Dipole Moment
16%
Illustrates
16%
Oak Ridge
16%
Processing Unit
16%
Nodes
16%
Efficient Implementation
16%
Quantum Computation
6%
Approximation Space
6%
Shot Noise
6%
Hybrid Approach
6%
Absorption Edge
6%
Jacobian
6%
