Quantum Mechanical Methods
From NWChem
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+ | =Quantum Mechanical Models= | ||
+ | [[Relativistic|Relativistic All-electron Approximations]] | ||
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+ | [[SCF|Hartree-Fock or Self-consistent Field]] | ||
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+ | [[DFT|Density Functional Theory (DFT) for Molecules]] | ||
+ | |||
+ | [[Excited-State_Calculations|Excited-State Calculations (CIS, TDHF, TDDFT)]] | ||
+ | |||
+ | [[NWPW|Plane-Wave Density Functional Theory (plane-wave DFT)]] | ||
+ | |||
+ | [[TCE|Tensor Contraction Engine Module: CI, MBPT, and CC]] | ||
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+ | [[MP2|MP2]] | ||
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+ | [[MCSCF|Multiconfiguration SCF]] | ||
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+ | [[SELCI|Selected CI]] | ||
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+ | [[CCSD|Coupled Cluster Calculations]] |
Revision as of 14:56, 9 August 2010
Quantum Mechanical Models
Relativistic All-electron Approximations
Hartree-Fock or Self-consistent Field
Density Functional Theory (DFT) for Molecules
Excited-State Calculations (CIS, TDHF, TDDFT)
Plane-Wave Density Functional Theory (plane-wave DFT)