SAPT

Performs symmetry adapted perturbation theory (SAPT) analysis to quantitatively analyze non-covalent interactions.

CURRENT ENERGY SAPT ALPHA SAPT CT ENERGY SAPT DISP ENERGY SAPT DISP2(CCD) ENERGY SAPT DISP20 ENERGY SAPT DISP21 ENERGY SAPT DISP22(S)(CCD) ENERGY SAPT DISP22(SDQ) ENERGY SAPT DISP22(T) ENERGY SAPT DISP22(T)(CCD) ENERGY SAPT DISP30 ENERGY SAPT ELST ENERGY SAPT ELST10,R ENERGY SAPT ELST12,R ENERGY SAPT ELST13,R ENERGY SAPT ENERGY SAPT EST.DISP22(T) ENERGY SAPT EST.DISP22(T)(CCD) ENERGY SAPT EXCH ENERGY SAPT EXCH-DISP20 ENERGY SAPT EXCH-DISP30 ENERGY SAPT EXCH-IND-DISP30 ENERGY SAPT EXCH-IND20,R ENERGY SAPT EXCH-IND20,U ENERGY SAPT EXCH-IND22 ENERGY SAPT EXCH-IND30,R ENERGY SAPT EXCH10 ENERGY SAPT EXCH10(S^2) ENERGY SAPT EXCH11(S^2) ENERGY SAPT EXCH12(S^2) ENERGY SAPT HF TOTAL ENERGY SAPT IND ENERGY SAPT IND-DISP30 ENERGY SAPT IND20,R ENERGY SAPT IND20,U ENERGY SAPT IND22 ENERGY SAPT IND30,R ENERGY SAPT MP2 CORRELATION ENERGY SAPT SAME-SPIN DISP20 ENERGY SAPT SAME-SPIN EXCH-DISP20 ENERGY SAPT TOTAL ENERGY SAPT0 DISP ENERGY SAPT0 ELST ENERGY SAPT0 EXCH ENERGY SAPT0 IND ENERGY SAPT0 TOTAL ENERGY SAPT2 DISP ENERGY SAPT2 ELST ENERGY SAPT2 EXCH ENERGY SAPT2 IND ENERGY SAPT2 TOTAL ENERGY SAPT2+ DISP ENERGY SAPT2+ ELST ENERGY SAPT2+ EXCH ENERGY SAPT2+ IND ENERGY SAPT2+ TOTAL ENERGY SAPT2+(3) DISP ENERGY SAPT2+(3) ELST ENERGY SAPT2+(3) EXCH ENERGY SAPT2+(3) IND ENERGY SAPT2+(3) TOTAL ENERGY SAPT2+(3)(CCD) DISP ENERGY SAPT2+(3)(CCD) ELST ENERGY SAPT2+(3)(CCD) EXCH ENERGY SAPT2+(3)(CCD) IND ENERGY SAPT2+(3)(CCD) TOTAL ENERGY SAPT2+(3)(CCD)DMP2 DISP ENERGY SAPT2+(3)(CCD)DMP2 ELST ENERGY SAPT2+(3)(CCD)DMP2 EXCH ENERGY SAPT2+(3)(CCD)DMP2 IND ENERGY SAPT2+(3)(CCD)DMP2 TOTAL ENERGY SAPT2+(3)DMP2 DISP ENERGY SAPT2+(3)DMP2 ELST ENERGY SAPT2+(3)DMP2 EXCH ENERGY SAPT2+(3)DMP2 IND ENERGY SAPT2+(3)DMP2 TOTAL ENERGY SAPT2+(CCD) DISP ENERGY SAPT2+(CCD) ELST ENERGY SAPT2+(CCD) EXCH ENERGY SAPT2+(CCD) IND ENERGY SAPT2+(CCD) TOTAL ENERGY SAPT2+(CCD)DMP2 DISP ENERGY SAPT2+(CCD)DMP2 ELST ENERGY SAPT2+(CCD)DMP2 EXCH ENERGY SAPT2+(CCD)DMP2 IND ENERGY SAPT2+(CCD)DMP2 TOTAL ENERGY SAPT2+3 DISP ENERGY SAPT2+3 ELST ENERGY SAPT2+3 EXCH ENERGY SAPT2+3 IND ENERGY SAPT2+3 TOTAL ENERGY SAPT2+3(CCD) DISP ENERGY SAPT2+3(CCD) ELST ENERGY SAPT2+3(CCD) EXCH ENERGY SAPT2+3(CCD) IND ENERGY SAPT2+3(CCD) TOTAL ENERGY SAPT2+3(CCD)DMP2 DISP ENERGY SAPT2+3(CCD)DMP2 ELST ENERGY SAPT2+3(CCD)DMP2 EXCH ENERGY SAPT2+3(CCD)DMP2 IND ENERGY SAPT2+3(CCD)DMP2 TOTAL ENERGY SAPT2+3DMP2 DISP ENERGY SAPT2+3DMP2 ELST ENERGY SAPT2+3DMP2 EXCH ENERGY SAPT2+3DMP2 IND ENERGY SAPT2+3DMP2 TOTAL ENERGY SAPT2+DMP2 DISP ENERGY SAPT2+DMP2 ELST ENERGY SAPT2+DMP2 EXCH ENERGY SAPT2+DMP2 IND ENERGY SAPT2+DMP2 TOTAL ENERGY SSAPT0 DISP ENERGY SSAPT0 ELST ENERGY SSAPT0 EXCH ENERGY SSAPT0 IND ENERGY SSAPT0 TOTAL ENERGY