The antisymmetrized geminal power (AGP) and sequential product of geminals(SPG) functions, the basis functions with symplectic symmetry, are linearly combined to calculate the ground state of the LiH molecule. The cal...The antisymmetrized geminal power (AGP) and sequential product of geminals(SPG) functions, the basis functions with symplectic symmetry, are linearly combined to calculate the ground state of the LiH molecule. The calculation results show that the AGP or SPG function gives the same ground state results as the linear combination.展开更多
I. INTRODUCTIONFor an n-electron system, antisymmetry functions with symplectic symmetry can be built with 2λ spin-orbitals as a starting point. The well-known AGP function is involved in these functions. Goscinski a...I. INTRODUCTIONFor an n-electron system, antisymmetry functions with symplectic symmetry can be built with 2λ spin-orbitals as a starting point. The well-known AGP function is involved in these functions. Goscinski and hm suggested calculating some atoms and molecules by using the AGP function. The calculation shows that the AGP function展开更多
文摘The antisymmetrized geminal power (AGP) and sequential product of geminals(SPG) functions, the basis functions with symplectic symmetry, are linearly combined to calculate the ground state of the LiH molecule. The calculation results show that the AGP or SPG function gives the same ground state results as the linear combination.
文摘I. INTRODUCTIONFor an n-electron system, antisymmetry functions with symplectic symmetry can be built with 2λ spin-orbitals as a starting point. The well-known AGP function is involved in these functions. Goscinski and hm suggested calculating some atoms and molecules by using the AGP function. The calculation shows that the AGP function
