18.207.120.96
/
Talk for this IP address
/
Log in / create account
Search
Navigation
Home
Science
Benchmarks
DownloadÂ
Documentation
Projects
News
Forum
FAQ
Other Software
Development
SEARCH
TOOLBOX
LANGUAGES
Forum Menu
Release66
Discussion
View source
History
modified on 11 September 2014 at 14:03 ••• 6,466 views
Release66:Quantum Mechanical Methods
From NWChem
Jump to:
navigation
,
search
Hartree-Fock (HF) Theory
Density Functional Theory (DFT)
Excited-State Calculations (CIS, TDHF, TDDFT)
Real-time TDDFT
Plane-Wave Density Functional Theory (plane-wave DFT)
Tensor Contraction Engine: CI, MBPT, and CC
MP2
Coupled Cluster Calculations
Multiconfiguration SCF
Selected CI