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First-principles calculations
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Biological Physics
First-principles calculations
Term
Metadata
First-principles calculations
Broader Terms
BT
↑
Biological Physics
BT
↑
Polymers & Soft Matter
BT
↑
General Physics
BT
↑
Atomic, Molecular & Optical
BT
↑
Condensed Matter & Materials Physics
More specific terms
NT2
↓
Basis sets
►
▼
NT3
↓
Plane wave
NT2
↓
Density functional theory
►
▼
NT3
↓
Density functional approximations
►
▼
NT4
↓
DFT+DMFT
NT4
↓
DFT+U
NT4
↓
GGA
NT4
↓
Hybrid functionals
NT4
↓
LDA
NT4
↓
LDA+DMFT
NT4
↓
LDA+U
NT4
↓
Meta-GGA
NT4
↓
Pseudopotentials
NT4
↓
Time-dependent DFT
NT3
↓
Density functional calculations
NT3
↓
Density functional theory development
NT2
↓
GW method
NT2
↓
High-throughput calculations
NT2
↓
Quantum chemistry methods
►
▼
NT3
↓
Configuration interaction
NT3
↓
Coupled cluster
NT3
↓
Hartree-Fock methods
NT3
↓
Molecular orbital theory
Related terms
RT
⇆
Electronic structure
Date of creation
13-Sep-2018
Accepted term
13-Sep-2018
Descendant terms
23
ARK
ark:/99152/t3v1wdmv6ndkx0
More specific terms
5
Alternative terms
0
Related terms
1
Notes
0
Metadata
BS8723-5
DC
MADS
SKOS-Core
VDEX
XTM
Zthes
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